s „Extended Third Millennium Ideal Gas and Condensed Phase Thermochemical Database
for Combustion with Updates from Active Thermochemical Tables”
Authors: Elke Goos, Alexander Burcat and Branko Ruscic.
It is strictly forbidden to include this database information as it is or parts of it in any
commercial database, software, firmware or hardware and any other type of commercial
use without written permission from the authors.
Elke.Goos@dlr.de,
aer0201@techunix.technion.ac.il
ruscic@anl.gov
For quotation write
Elke Goos, Alexander Burcat and Branko Ruscic
„Extended Third Millennium Ideal Gas and Condensed Phase Thermochemical Database
for Combustion with Updates from Active Thermochemical Tables”
Update of
“Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion
with Updates from Active Thermochemical Tables
Alexander Burcat and Branko Ruscic
Report ANL 05/20 and TAE 960 Technion-IIT, Aerospace Engineering, and Argonne National
Laboratory, Chemistry Division, September 2005.
This file was checked by Egil Jahnsen (Norway) <egil.jahnsen@vabb.no> for errors and
compatibility to automatic devices. Last check: 17 July 2015.
<http://burcat.technion.ac.il/dir>; quote date.
mirrored at <http://garfield.chem.elte.hu/Burcat/burcat.html>;quote date.
or received from Elke Goos, date.
Table 6. Enthalpy of formation, fH298 and fH0, heat capacity and entropy at 298 K,
and H298-H0 from the original calculation Last addition March 4 2016.
±
S298
Cp298
H298-H0
fH298
 fH 0
Compound
Mol. Wgt.
kJ/mol
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
Ag (cr) REFERENCE ELEMENT
107.86820
0.
0.
25.350
42.55
5.745 †
Ag
107.86820
284.9
284.448 ±0.8
20.786 172.998
6.197 †
Ag+
107.86765
1022.1 1015.444
20.792 167.236
6.198 †
Ag107.86875
153.08
158.83
20.792 167.236
6.198 †
AgN3 Silver Azide (Solid)
149.88842
310.3
315.0
59.482 259.274 13.993 X
Air (standard mixture)
28.96518
-0.126
-0.125
29.104 198.824
8.649 †
AL(cr) REFERENCE ELEMENT
26.98154
0.
0.
24.2
28.3
4.540 †
AL
26.98154
330.
327.621 ±4.2
21.391 164.555
6.919 †
389
Table 6 (continued)
Compound
AlB2 (S) Aluminum Diboride (S)
AlB2 g
ALBr
ALBr2
ALBr3
ALCL
<&>
ALCL+
ALCL2
ALCL3
<&>
ALF
<&>
ALF+
ALF2
ALF2ALF3
<&>
ALH
ALH2
ALH3 solid alpha, hexagonal
ALH3
ALO
<&>
ALO+
ALOALOH
HALO
ALO2
ALO2ALO2H (HALO2)
AL(OH)2
AL(OH)3
AL2
<&>
AL2O
AL2O+
AL2O2
AL2O2+
AL2O3(S)
AL2O3(G)
Ar REFERENCE ELEMENT<^!>
Ar+
ArH Radical
ArH+ 3L84
B(S) REFERENCE ELEMENT
B
<&>
BBr
BBr2
BBr3
BCL
<&>
BCL+
BCLF
Mol. Wgt.
48.60354
48.60354
106.88554
186.78954
266.69354
62.43424
62.43369
97.88694
133.33964
45.97994
45.97939
64.97834
64.97889
83.97675
27.98948
28.99742
30.00536
30.00536
42.98094
42.98039
42.98149
43.98888
43.98888
58.98034
58.98089
59.98828
60.99622
78.00356
53.96308
69.96248
69.96193
85.96188
85.96133
101.96128
101.96128
39.948
39.94745
40.95594
40.95539
10.811
10.811
90.715
170.619
250.523
46.2637
46.26315
65.26210
±
S298
Cp298
H298-H0
fH298
 fH 0
kJ/mol
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-150.996
43.644
34.727
??834.269
830.209
±8.
44.331 253.948 11.028 #
14.325
21.554
35.618 239.635
9.571 †
-140.662
-125. ±50.
53.256 312.236 13.398 †
-410.477
-387.1 ±5.1
75.372 348.026 17.943 †
-51.007
-51.2
±3.
34.661 227.961
9.323 †
861.849
855.286 ±42.
33.794 232.190
9.154 †
-240.874
-240. ±40.
51.566 290.374 12.847 †
-584.679 -582.768
±5.
71.537 313.089 16.401 †
-264.060
-264.
±3.
31.937 215.162
8.892 †
692.234
686.176 ±25.
31.155 220.068
8.813 †
-631.764
-630. ±30.
45.418 264.924 11.601 †
-853.231
-845. ±20.
44.746 257.272 11.332 †
-1209.28 -1205.543 ±3.1
62.199 276.674 14.044 †
249.250
249.356 ±20
29.371 187.863
8.668 †
276.774
279.691 ±20.
35.773 213.316 10.091 †
-11.4
+0.402
40.210
30.040
5.440 †
128.896
135.728 ±20.
40.057 206.579 10.411 †
67.319
67.411
±8
30.884 218.389
8.788 †
992.993
986.586
33.135 230.978
9.090 †
-272.972 -266.589 ±11
30.335 211.945
8.745 †
-192.762
-190. ±13
43.512 222.643 10.352 †
1.821
5. ±50.
40.996 219.696
9.935 †
-38.658
-38.799 ±32
51.661 269.637 13.362 †
-452.572 -443.799 ±60
46.063 229.783 10.645 †
-355.472
-350. ±50
51.256 254.826 11.981 †
-507.661
-500. ±50
62.980 284.406 14.028 †
-1016.67
-1000.
87.249 301.541 17.596 †
501.302
500.243 ±20
37.055 243.842 10.139 †
-148.611 -147.968 ±20
51.978 253.135 12.777 †
648.97
643.212
52.898 260.663 12.981 †
-403.096 -401.178 ±40.
68.122 288.044 15.843 †
557.439
554.026
68.924 289.704 14.975 †
-1675.70 -1663.616
79.033
50.920 10.016 †
-546.891
-544.39 ±100.
86.990 316.662 19.598 †
0
0
20.786 154.847
6.197 †
1526.778
1520.6 ±0.001
20.984 166.406
6.206 †
211.75
210.447
±8.
44.036 235.028 11.737 #
1165.2
1160.7
29.105 188.478
8.676 #
0.
0.000
11.315
5.834
1.214 †
565.
559.898 ±12
20.797 153.438
6.316 †
240.952
245.429
32.787 224.992
8.997 †
97.829
111.362 ±25.
48.451 294.539 12.201 †
-205.3
-183. ±3.0
67.777 324.505 15.703 †
183.173
180.117 ±20.
31.656 213.244
8.861 †
1234.28 1225.027 ±42.
31.644 219.133
8.860 †
-279.184
-280. ±10
42.820 264.941 11.033 †
390
Table 6 (continued)
Compound
BCLF2
BCL2
<&>
BCL2+
BCL2F
BCL3
<^>
BF
<&>
BF2
<&>
BF2+
BF2BF3
<^>
BF4BH
BHF2
BH2
BH3
BH4
BH5
BI Mono Iodo Boron
BI2
BI3 BoronTriIodide
BO
<&>
BOBOCL OBCl
BOCL2
BOF
OBF
BOF2
OBF2
BO2
BO2B2
<&>
B2CL4
B2F4
B2H
B2H2
B2H6
B2Mg(S) see MgB2
B2Mg g see MgB2
B2O
B2O2 (BO)2
B2O3(S)
B2O3
<&>
B3O3CL3 (BOCl)3
B3O3F3
(BOF)3
B3O3H3 BOROXIN
H3B3O6 BORIC ACID
BaO
Bi(s) REFERENCE ELEMENT
Bi
Mol. Wgt.
84.26050
81.7164
81.71585
100.71480
117.1691
29.80940
48.80781
48.80726
48.80355
67.80621
86.80516
11.81894
49.81575
12.82688
13.83482
14.84276
15.85070
137.71547
264.61994
391.52441
26.81040
26.81095
62.2631
97.7158
45.80880
64.80721
42.80980
42.81035
21.62200
163.4328
97.61561
22.62994
23.63788
27.66964
45.9270
45.9270
37.6214
53.6208
69.6182
69.6202
186.7893
137.42641
83.45502
131.45322
153.32640
208.98040
208.98040
±
S298
Cp298
H298-H0
fH298
 fH 0
kJ/mol
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-888. -885.694
±5.
54.473 275.115 12.324 †
-60.881
-62. ±10.
45.746 271.202 11.514 †
672.315
663.664 ±20.
52.975 257.809 12.849 †
-643. -641.423
±5.
58.911 287.581 13.231 †
-404.5 -403.485 ±1.3
62.556 289.468 13.971 †
-106.932
-110. ±10.
29.594 200.453
8.695 †
-499.427
-500. ±10.
40.055 247.133 10.612 †
322.6
315.816 ±2.5
44.291 225.151 10.612 †
-733.803
-728. ±14.
39.436 240.589 10.434 †
-1136.0
-1133.2 ±0.8
50.462 254.429 11.651 †
-1761.27
-1750. ±40.
67.794 268.855 13.796 †
448.727
445.536
±2.
29.181 171.836
8.639 †
-739.614 -736.000 ±3.3
42.230 244.323 10.659 †
328.909
328.568 ±10
34.975 193.675 10.024 †
104.747
108.603
36.018 188.251 10.060 †
255.210
262.560
44.277 211.994 10.771 †
77.387
87.199
52.616 229.580 12.572 †
325.988
324.657 ±12
33.731 233.319
9.142 †
238.036
239.810 ±10
50.294 311.115 12.688 †
21.400
25.475
±4.
71.027 350.427 16.933 †
20.406
17.286 ±10
29.196 203.468
8.674 †
-277.791 -274.714
±5.
29.197 197.683
8.674 †
-318.537
-319. ±10
45.079 237.306 10.608 †
-361.566
-360 ±60
58.826 292.296 13.170 †
-592.978
-593. ±10
41.653 224.981
9.988 †
-832.768
-830. ±50
50.491 268.239 11.611 †
-309.122
-310.
43.285 230.138 10.772 †
-714.494
-708. ±20.
39.147 215.734
9.598 †
857.371
850.993 ±15.
31.503 202.064
8.805 †
-490. -490.798 ±10.
97.997 371.268 21.588 †
-1438.
-1435.6
±7.
80.629 326.206 17.681 †
796.270
792.816
42.328 214.282 10.116 †
454.475
455.001 ±8.4
46.880 213.225 10.371 †
36.6
52.5
±2.
56.643 232.027 11.932 †
-92.0
-91.3 ±8.4
#
834.5
830.6
±8.
#
192.798
187.783 ±100.
47.247 226.244 11.783 †
-457.711
-460. ±10.
60.269 249.669 13.397 †
-1273.5 -1267.353 ±1.4
62.761
53.97
9.301 †X
-835.382 -834.353
±8.
64.917 285.902 14.419 †
-1635.98
-1630. ±15
124.123 380.039 24.452 †
-2382.7
-2374. ±12
110.653 343.946 21.201 †
-1203.76
-1190. ±20
80.615 286.152 15.603 †
-2263.69
-2245. ±20
133.912 359.908 23.697 †
-117.95
32.898 235.460
9.014 †
0.
0.
25.5
56.7
6.43 #
207.
20.786 187.090
6.200 #
391
Table 6 (continued)
Compound
Bi+
BiBiCl
BiCl2 BiChloroBismuth
BiCl3 TrichloroBismuth
BiF MonofluoroBismuth
BiF2 BiFluoroBismuth
BiF3 TrifluoroBismuth
BiH3 Bismuthine
BiI
MonoIodoBismuth
Bi(OH)3
BiO
BiOBiO2Bi2
Bi2Bi2O3
/O\
Bi-O-Bi
\O/
Bi2O3 O=Bi-O-Bi=O
Br
<~>
Br+
BrBrCl
DBr
DOBr
BrF
BrF3
BrF5
HBr
<^~>
H81Br+
HOBr Hypobromic acid
<~>
HOBr+
HBrH+ Bromonium
BrNH2
(see NBrH2}
BrI Iodine Monobromide
BrONO
BrONO2
BRO
<~>
BrO+
BrO- Hypobromite
BrO2 Br-O-O
<~>
BrO2 O-Br-O
BrO3
BrS`
TBr Tritium Bromide
Br2 (L) REFERENCE ELEMENT
Mol. Wgt.
208.97983
244.43308
279.88587
315.33848
227.97878
246.97719
265.97559
212.00420
335.88485
260.00240
244.97978
417.96080
465.95896
465.95896
79.904
79.90345
79.90455
115.35670
81.91810
97.91750
98.90240
136.89921
174.89602
80.91194
80.91139
96.91134
96.91079
81.91933
95.92662
206.80847
125.90954
141.90894
95.9034
95.90285
95.90395
111.9028
111.9028
127.9022
111.9700
82.920
159.8080
fH298
kJ/mol
918.233
116.2
74.30
-93.692
-265.266
-29.384
-200.359
-707.933
58.430
102.80
-198.234
121.3
-33.2.
-187.
220.0
97.07
376.807
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
912.300
20.786 175.481
6.197 #
X
36.134 255.753
9.767 #
56.839 322.337 14.850 #
81.609 373.383 20.878 #
34.309 250.982
9.255 #
48.723 289.057 12.176 #
67.996 312.818 15.565 #
43.070 249.004 10.691 #
37.155 280.376 10.327 #
99.223 351.516 18.607 #
±12.6
32.765 246.171
8.994 #
±7.1
X
±10.
X
36.942 273.743 10.287 #
±0.88
X
83.662 341.171 16.786 #
636.679
111.852
1257.917
-218.874
14.789
-37.036
-65.898
-58.851
-255.6
-428.8
-35.851
1096.
-61.78
970.8
920.5d
117.915
1257.782
-206.614
22.233
-29.160
-55.487
-51.200
-244.81
-413.65
-28.005
1097.64
-47.8
975.227
925.0d
40.775d
84.140
36.066
123.61
1138.3
-113.997d
110.2
158.18
221
148.5
-40.29
0
392
±10.5
±1.0
±3.0
±2.0
±0.15
±0.15
±0.54
±0.6
±1.7d
93.274
20.786
20.787
20.786
35.011
29.228
39.755
32.959
67.354
101.335
29.141
29.153
38.362
37.205
34.332
373.903
175.019
176.874
163.493
240.049
204.484
251.976
228.988
295.775
323.253
198.700
204.873
247.786
252.202
219.069
20.518
6.197
6.197
6.197
9.407
8.668
10.474
9.021
14.712
19.175
8.648
8.651
10.359
10.210
9.974
49.725 ±0.066
96.529
±8.
50.479
±8.
131.149 ±0.29
1139.9 ±1.2
-100.006 ±1.5d
119.251 ±3.9
167.78 ±2.7
233.180 ±50
155.8 ±2.2
-32.51
±8.
0
36.490
55.405
69.272
34.141
31.081
31.066
46.577
45.243
59.995
34.740
29.435
75.680
258.718
288.760
313.457
232.898
231.165
225.387
283.389
270.659
284.507
244.706
207.829
152.210
9.908
12.887
15.202
9.062
8.807
8.806
11.859
11.340
13.101
9.353
8.683
24.520
±0.06
±0.055
±0.055
±0.082
#
#†
†
†
†
†
#
†
†
†
†
#
#
#
#
#
#
#
#
#
#
#
#†
#†
#
#
#
†
Table 6 (continued)
Compound
Mol. Wgt.
fH298
kJ/mol
30.881
1051.573
-220.4
Br2 gas
<^~>
Br2+
Br2Br2NH
(see NBr2H)
Br2O BrBrO
Br2O Br-O-Br
Br2S
Br3N
(see NBr3 )
Br3P Phosphorus TriBromideJ63
Br3P+ Phosphorus Tribromide catio
Br3P- Phosphorus Tribromide anion
C(GR) REF ELEMENT
<!>
C(diamond) (cr)
159.8080
159.80745
159.80855
174.8227
175.8074
175.8074
191.87400
253.71874
270.68576
270.68521
12.0107
12.0107
-146.02
800.36
-293.w
0
1.849
C
<^!>
C singlet (excited) c
C triplet only (excited) d
C+
CALC
CBr
CBrClF2
<~>
CBrCl2F FC-11B2
CBrCl3 BromoTrichloroMethane
CBrF3 Freon 1301
<~>
BrCN Cyanogen Bromide
BrCN+
BrNC Isocyanogen Bromided
CBr2
CBr2CLF FC-11B3
CBr2CL2
CBr2F2
Br2C=Oa liq.
Br2C=O Dibromophosgene
CBr3
CBr3Cl
CBr3F
CBr4 cr monoclinic
CBr4
CCL
<~>
CCL+ cation
CCL- anion
CClD3
CCLF
COClF Carbonic Chloride Fluoride
CCLF2
<~>
CCLF3 FC-13
<^>
12.01070
12.01070
12.01070
12.01045
12.01125
38.99224
91.91470
165.36421
181.81850
198.27280
148.90991
105.92144
105.92089
105.92144
171.81870
226.26980
242.72410
209.81551
187.81810
187.81810
251.72270
287.1754
270.72110
331.6267
331.62670
47.46340
47.46285
47.46395
53.50571
66.46180
82.46120
85.46021
104.45861
716.67
838.466
716.87
1809.444
588.55
682.28
495.85
-442.19
-239.97
-42.07
-652.26d
180.75
1330.2
338.53
343.51
-187.44
3.39
-384.5
-144.45d
-113.53
232.212
53.03
-132.3
48.1d
102.01
432.611
1288.2
425.88
-103.901
25.846
-412.791
-275.
-710.02
164.9
104.61
55.647
393
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
45.676 ±0.11
36.057 245.469
9.725 †
1060.99 ±0.22
37.266 213.233
9.797 #
-201.3 ±1.9
45.038 231.861 11.614 #
#
180.701 ±2.2
51.296 302.173 13.059 #†
121.095 ±1.2
50.051 290.488 12.375 #†
71.26 ±4.2
53.492 305.867 13.322 #
#
-121.906
76.407 342.524 18.026 #
818.73 ±10.
74.918 354.034 17.577 #
±17.
X
0
8.528
5.734
1.054 †
2.380 ±0.043
6.109
2.364
0.523 #
±2.2411
711.198 ±0.45
20.839 158.102
6.536 †
833.31d ±0.055
X
711.384 ±0.58
20.839 158.101
5.536
1804.034 ±0.8
20.974 154.664
6.649 †
589.785 ±0.06
20.787 159.004
6.219 †
678.815 ±50.
33.218 225.918
9.058 †
500.2
32.370 230.888
8.946 #†
-430.989 ±5.4
74.650 318.724 15.528 #†
-229.79 ±5.4
80.108 330.773 16.731 #†
-32.92 ±0.71d
85.307 320.288 17.934 #
-640.14d ±0.64d
69.270 297.695 14.444 #†
-187.74 ±0.76
45.842 246.185 10.732 #
1330.81 ±1.1
45.956 252.500 10.841 #
344.396 ±3.55
45.636 234.516 11.782 #
356.89
49.273 288.706 12.192 #†
-170.36 ±5.4
82.338 343.087 17.498 #†
19.34 ±1.43
88.011 354.873 18.804 #
-366.38 ±1.33
77.000 325.413 16.280 #†
±0.96d
X
-97.593 ±0.45
61.823 307.931 13.976 #
254.030 ±4.2
69.174 331.466 16.015 #†
76.6d ±1.5
89.848 357.394 19.581 #†
-108.463 ±1.5
85.042 346.866 18.409 #†
±1.3d
X
132.3d ±1.05
91.162 317.516 20.396 #
428.860
32.268 224.556
9.395 †
1279.4
±8.
30.261 212.119
8.753 #
428.197
±8.
35.817 219.918
9.525 #
-96.273
±8.
46.211 241.760 10.869 #
25.0 ±30.
42.962 259.150 10.902 †
-410.054
±8.
52.397 276.926 11.904 †#
-272.96 ±25.
55.172 287.353 12.432 †
-704.93 ±1.0d
66.887 285.424 13.791 †
Table 6 (continued)
Compound
CLCN Cyanogen Chloride <&>
CLCN+
CLNC
COCL Carbonyl Chloride <~>
CCL2
<&>
CCL2+
CCL2F
CCL2F2 FREON-12
<^~>
COCl2 liq Phosgen liq
COCL2 PHOSGEN
CCL3
<&>
CCL3F FC-11
<^>
CCL3O*
CCL4 liquid c
CCL4
<^>
CD
<&>
CD A 4Σ- (Excited state only)
CDCLO Formyl-d-Chloride
CDH3
DCN
CDO Formyl – D Radical
CD2
CD2O Methanal-D2
CD3
CD3F MethylFluoride-D3
CD3NO2
CD4 RRHO
CD4 ANHARMONIC
CD4O CD3OD Methanol-d4
CD5N CD3ND2 MethylAmine-d5
CF
<~>
CF+ Fluoromethyliumylidened
CFFCN
<&>
FCN+c
FNC d
COF (FCO/CFO)
<~>
COF Fluoroisoformyl 1871-24-5
COF+ c CAS # 1871-25-6d
FCO+ c 38264-00-5
FCO-c,d
CF2 singlet
<~>
CF2 Difluoromethylene triplet
CF2+
CF2- c
COF2
<~>
COF2+
Mol. Wgt.
61.47014
61.46959
61.47014
63.46280
82.91670
82.91555
101.91450
120.91291
98.9155
98.9158
118.3697
137.36720
134.36820
153.82150
153.82150
14.0251
14.02480
65.47690
17.04862
28.03154
30.0245
16.0389
32.0383
18.05301
37.05141
64.05885
20.0671
20.0671
36.06651
36.08795
31.00910
31.00855
31.00965
45.01584
45.01529
45.01584
47.00850
47.00850
47.00795
47.00795
47.00905
50.00751
50.00751
50.00696
50.00805
66.00721
66.00636
fH298
kJ/mol
134.200
1333.33
316.59
-16.000
231.7
1226.42
-105.
-495.81
-242.62d
-219.5
71.128
-290.67
-18.41
-128.22d
-95.6
599.700
670.477
-190.678
-78.45
128.220
40.945
382.59
-114.893
138.69
-261.115
-61.789
-89.010
-89.010
-217.670
-41.973
246.932
1132.d
197.9d
8.141
1300.66
301.1
-176.305
-33.8
1355.1d
730.1d
-410.14
-193.36d
44.07d
917.03
-216.096
-606.65
656.82
394
 fH 0
kJ/mol
133.510
1326.3
315.0
-17.567
230.5
1119.31
-103.57
-491.63
-255.32d
-217.80
71.553
-287.496
-18.12
-108.81d
-93.343
596.251
667.158
-187.627
-70.49
128.407
40.0
382.063
-111.141
141.841
-253.236
-48.423
-81.166
-81.161
-207.07
-27.405
243.333
1122.66d
200.6d
8.132
1293.847
299.19
-176.887
-39.2
1347.4d
724.2d
-405.352
-193.84d
43.35d
910.37
-211.019
-603.57
653.379
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±0.45d
44.960 236.144 10.669 †
±0.95
45.016 242.867 10.813 #
±2.4
44.244 264.563 11.539 #
±10.
45.073 265.195 11.551 †
±1.7
51.028 266.112 11.728 #
±8.
43.744 266.132 11.148 #
±20.
59.121 298.917 13.217 †
±1.4d
72.477 300.908 14.881 #†
±0.28d
X
±0.28d
57.761 283.752 12.879 †
±2.5
63.500 303.100 14.400 †
±1.12
78.071 309.785 16.064 #†
90.154 332.520 18.768 #
±0.49d
X
±2.5
82.890 309.467 17.159 †
29.206 192.997
8.795 #
29.176 189.887
8.657 #
47.008 261.854 11.218 #
36.573 200.068
10.08 #
±6.7
37.590 205.168
9.487 #
35.920 228.610
#
36.262 204.294 10.150 #
38.137 225.076 10.211 #
41.807 207.024 10.756 #
±8.
41.909 229.852 10.440 #
63.166 291.669 13.556 #
40.536 199.014 10.348
40.582 199.023 10.343 #
49.478 249.248 11.932 #
±0.6
57.167 251.355 12.244 #
±0.15d
30.056 213.034
9.065 †
±0.55
29.642 201.509
8.697 #†
±2.1d
31.858 199.919
8.880 #
±0.72
41.757 224.607 10.129 #†
±1.1
42.557 232.192 10.417 #
±2.24
43.166 268.604 11.713 #
±0.5
38.880 248.992 10.388 #†
±1.2
X
±2.2d
X
±1.5d
39.388 222.810
9.703 #
±1.66
43.822 251.940 11.216 #
±0.57d
38.915 240.831 10.351 #†
±0.57d
40.031 251.177 10.576 #
±1.6
38.541 246.731 10.342 †
±0.73d
44.228 258.428 10.999 #
±0.5
47.365 258.971 11.134 #†
±0.6
48.745 260.659 11.463 #
Table 6 (continued)
Compound
COF2FCOF trans Fluoro(fluorooxy) Methylene
FCOF cis
CF3
<~>
CF3+ Trifluoromethylium
CF3CF3I
<~>
CF3O Radical
<~>
CF3OO RADICAL
CF4 FC-14
<^~>
CH
<!>
CH A 4Σ- (Excited state only)
CH A 2 (Excited state only)
CH B 2- (Excited state only)
CH+ ion
CHCHBr
CHBrClF
CHBrCl2 FC-20B1
CHBrF2 HBFC-22B1
CHBr2
CHBr2CL
CHBr2F FC-21B2 or FC-23
CHBr3 (liq) Bromoform d
CHBr3 Bromoform
CHCL
CHCLF
CHCLF2 HCFC-22
<^>
CHCLO Formyl Chloride
CHCL2
CHCL2F FC-21
<^>
CHCL2O *CCl2OH
CHCL3 liquid Chloroform c
CHCL3 CHLOROFORM
<^>
CHCL3O CCl3OH
CHD2NO2
CHD3
CHF RADICAL singlet
<~>
CHF triplet
CHF + c Fluoromethyliumyld
CHF - c
CHFO HFCO
CHFO+ HFCO+
CHF2
<~>
CHF3(liq) Fluoroform HFC-23 c
CHF3 Fluoroform HFC-23 <^~>
CHI2 DiIodoMethyl Radical
Mol. Wgt.
66.00746
66.00691
66.00691
69.00591
69.00536
69.00645
195.91038
85.00531
101.00471
88.00461
13.01864
13.01864
13.01864
13.01864
13.01809
13.01919
92.92264
137.37374
163.82804
130.91975
172.82664
208.27934
191.82504
252.73064
252.73064
48.47134
67.46974
86.46815
64.47074
83.92487
102.92244
99.92344
119.37674
119.37674
135.37614
63.05268
19.06095
32.01734
32.01704
32.01649
32.01759
48.01644
48.01589
51.01544
70.01385
70.01385
266.82758
fH298
kJ/mol
-611.6
-40.2d
-136.7d
-467.4a
411.627
-646.7d
-590.5
-630.696
-637.290
-933.4
595.8
667.919
876.167
909.012
1630.571
471.085
377.857
-231.8d
-51.48
-425.46
198.489
-2.95
-179.5
1.6d
47.38
320.7
-83.490
-489.8d
-180.573
95.8
-284.900
-83.554
-134.04d
-103.259
-275.977
-57.716
-85.290
148.614
210.51
1123.37
90.275
-382.529
819.23
-238.9
-704.32d
-693.289
290.4
395
 fH 0
kJ/mol
-603.345
-38.7d
-135.5d
-464.6
408.179
-638.57
-584.62
-625.69
-630.602
-927.15
592.5
664.583
872.829
905.656
1620.15d
474.07d
384.99
-219.3d
-39.48
-412.26
215.446
+16.16
-159.639
73.53
320.362
-80.0
-483.8d
-177.363
97.469
-279.305
-79.082
-98.353
-270.06
-44.135
-77.391
148.333
210.205
1116.891
95.994
-378.903
816.377
-235.707
-686.34
294.943
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±2.77
54.339 265.677 12.161 #
±2.0d
54.686 270.473 12.543 #
±2.1
56.177 276.481 12.919 #
±1.97
49.642 264.521 11.491 †
±0.7d
49.339 254.540 11.541 †
±1.9d
56.614 263.934 12.358 #
±0.68
70.941 307.633 15.008 #
±8.
64.550 283.750 13.622 #
±8.
80.004 317.945 16.283 #
±0.53
61.052 261.459 12.730 †
±0.6
29.175 183.037
8.625 #
±0.68d
29.151 182.626
8.624 #
29.156 177.109
8.626 #
29.298 178.364
8.643 #
±0.28d
29.159 171.673
8.628 †
±0.65d
35.329 178.546
9.552 #
±2.
39.789 252.872 10.416 #
±5.5d
62.869 310.691 13.787 #†
±5.4
67.395 316.478 14.730 #†
±1.07
58.767 295.230 13.170 †
54.834 298.588 12.851 #
±5.4
69.149 328.026 15.291 #†
±5.4
64.915 316.925 14.360 #†
±1.3d
X
±1.24
71.026 330.864 15.915 #
±8.
37.854 235.136 10.216 #†
±25.
43.662 266.544 10.801 †
±2.0d
55.851 280.895 12.362 #†
44.687 259.282 11.008 #
53.900 285.500 12.800 †
±5.5d
60.987 293.173 13.286 †
±8.
67.834 312.822 14.337 #
±0.63
114.35
X
±0.67d
65.384 295.875 14.153 #†
±3.2
86.644 323.540 17.008 #
60.806 289.264 13.290 #
39.005 208.610 10.243 #
±0.58d
34.588 223.342
9.981 #†
0.71d
34.972 231.423 10.005 #
±2.0
34.519 226.609
9.982 #
±0.62
36.879 232.444 10.179 #
±0.55d
40.019 246.727 10.414 #
±1.25
41.856 253.771 10.695 #
43.062 258.000 10.920 †
±0.65d
X
±0.63d
51.139 259.375 11.573 †#
±6.
58.519 293.206 13.940 #
Table 6 (continued)
Compound
CHI3 IODOFORM
HCN anharmonica
<^~>
HCN+
HCN-c
HNC Hydrogen isocyanide
HNC+
HNCHNCO Isocyanic acid
<~>
HNCO+
HOCN Cyanic acid
<~>
HCNO IsoFulminic acid
<~>
HCNO+ IsoFulminic acid cation
HONC Fulminic acid d
CHN2 HN*-CN Cyanamide Rad.
CHN2 cy H(-C-N=N-) Diazirinyl
CH(O)N3 Formil Azide
CH(NO2)3
CHO FORMYL RADICAL <!>
CHO+ Oxomethylium
<~>
CHOFormyl anion
COH Isoformyl
COH- Isoformyl anion
COH+ c Hydroxymethylimuylidene
CHOS* O=CH-S*
COOH equilibrium HOCO <~>
trans-cis
HOCO trans Hydroxyformil
HOCO cis
COOH+
HOCO+ c
HOCO- cis
HCOO* Formyloxyl Radical
HCOO+ 54375-27-8
HC(O)O- Formyloxy anion
HOCO- trans Hydroxyformyl anion
HCOO trans Dioxymethylened
HCOO equil Dioxymethylened
HC*(O-O) Cyclo Dioxiranyl
HCO3- Bicarbonate anion (gas)
CHO3 O=CHOO* formylperoxy
HCP HC≡P Methinphosphide
HCS
CSi see SiC Siliconcarbide
CH2 Methylene Equilibrium <!>
CH2 Methylene SINGLET <!>
CH2 Methylene Triplet only <!>
CH2+
CH2-
fH298
kJ/mol
210.874
129.799
1448.748
123.31
191.908
1359.05
185.543
-118.600
1006.582
-15.456
167.603
1218.89
233.15d
315.838
556.179
163.586
-13.389
42.3
833.940
5.958
218.10
47.2d
993.859d
27.121
-183.97d
 fH 0
kJ/mol
218.799
129.676d
1442.676
129.51d
191.530
1352.891
191.56
-119.05d
1002.939
-12.76
171.042
1215.822
234.68d
318.414
559.612
171.997
+5.042
41.928
827.4
11.747
217.72
50.8d
992.33d
29.536
-181.39
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±4.2
75.072 355.672 17.157 †
±0.1d
35.857 201.824
9.235 †
±0.21d
37.399 209.919
9.497 #
±0.1R
35.383 225.915 10.046 #
±0.57d
40.271 205.511 10.001 †
±1.4d
38.160 208.755
9.584 #
±0.38R
X
±0.37d
45.078 238.265 10.966 †
±0.54
47.690 234.205 11.406 #
±20.
46.047 241.244 11.268 #
±1.2
48.395 225.025 10.623 #
±1.53
49.864 232.192 10.834 #
±1.02d
49.654 248.364 12.400 #
±8.
46.657 247.283 11.381 #
±8.
41.497 242.076 10.525 #
±8.
64.977 289.428 14.221 #
134.09 435.569 25.902 #
±0.3
34.680
224.28 10.000 #
±0.26
34.172 201.764
9.046 #†
±0.44d
35.462 222.237 10.036 #
±0.83
34.970 225.030 10.008 #
±2.7d
47.273 239.129 12.136 #
±0.8
X
±8.
46.428
268.37 11.625 #
±0.55
43.610 251.736 10.813 #†
-181.95
-173.26d
600.905
-320.44
-122.350
1015.3
-462.152
-320.9
359.0
332.1d
216.252
-724.8
-103.640
217.790
282.053
±0.55
±0.62
±0.472
±1.2
±0.6
±1.63
±0.75
±1.9
±5.9d
±5.9d
±1.97
±8.
±8.
±8.
±8.
44.134
43.696
44.976
46.240
41.985
44.992
38.528
251.607
251.739
240.172
249.307
255.230
240.181
244.166
10.909
10.843
11.031
11.101
11.258
11.033
10.267
45.01744
45.01744
45.01744
61.01738
61.01684
43.99240
45.08464
-184.36d
-177.06d
604.166
-329.5d
-125.059
1018.1
-472.05
-322.8
356.6
329.9d
212.75
-737.57
-108.972
216.363
282.47
49.044
40.689
53.316
56.205
36.018
36.376
258.230
245.442
266.488
278.620
214.407
236.044
11.641
10.465
11.732
12.975
9.221
10.117
#
#
#
#
#
X
#
X
X
#
#
#
#
#
#
14.02658
14.02658
14.02658
14.02603
14.02713
391.2
428.8
391.2
1399.825
322.326
390.7
428.3
390.7
1393.114
328.113
±0.14d
±0.15d
±1.6
±0.15d
±0.56d
35.130
33.781
35.014
35.109
33.653
194.436
189.220
194.418
191.690
196.021
10.032
9.940
10.027
10.036
9.933
#
#
#
#
#
Mol. Wgt.
393.73205
27.02568
27.02483
27.02593
27.02568
27.02483
27.02593
43.02478
43.02423
43.02478
43.02478
43.02423
43.02478
41.03212
41.03212
71.03826
151.03526
29.01804
29.01749
29.01859
29.01804
29.01859
29.01749
61.08404
45.01744
45.01744
45.01744
45.01689
45.01799
45.01744
45.01689
45.01799
396
Table 6 (continued)
CH2BrCL HALON101
CH2BrF
CH2BrI BromoIodoMethane
CH2Br2
CH2CL
<~>
CH2CLF GC-31
CH2CL2 (liq)a
CH2CL2
<^>
CH2DNO2
CH2D2
CH2F
<~>
CH2F2 (liq) FC-32
CH2F2 FC-32
<~>
H2CN* Methyleneamidogen <~>
H2CN+ triplet
H2CN- Methyleneamidogen
HCNH trans E-Iminomethyl
HCNH cis
Z-Iminomethyl
HCNH+ c
HCNH- trans c Iminomethyld
HCNH- cis
CNH2d Aminomethylidyne
CNH2+ triradical cation c
H2NCO
CH2NO CH2=N-O*
H2CNO H2C*N=OCH2=N-O* !!
CH2NO2 NITRO-METHYL RAD
CH2NO3 Methyl Nitrate Radical
CH2N2 (cr) Cyanamide cr
CH2N2 CYANAMIDE H2N-CN
H2CN2 HN=C=NH
CH2N2 H2C=N=N
H2CN2 Cy 3H-Diazirine
H2CN2 Cy 1H-Diazirine
CH2N2O H2C=N-N=O
CH2N2O2 H2C=N-NO2
CH2(NO2)2 H2C(NO2)2
CH2N4 Cy 1H-Tetrazole
129.38358
112.92898
220.83505
173.83458
49.47928
68.47768
84.93198
84.93198
62.04652
18.05478
33.02498
52.02339
52.02339
28.03332
28.03277
28.03387
28.03332
28.03332
28.03328
28.03387
28.03387
28.03332
28.03277
44.03272
44.03272
44.03302
60.03242
76.03182
42.04006
42.04006
42.04006
42.04006
42.04006
42.04006
58.03946
74.03886
106.03796
70.05354
fH298
kJ/mol
-43.471
-212.42
56.8
3.10
119.2
-262.546
-123.46d
-95.396
-52.532
-81.750
-32.077
-467.45d
-452.709
238.569
1459.8d
183.1d
272.59
291.11
955.58d
229.05
244.32
368.80
1171.87
-13.493
154.574
223.928
128.399
98.952
58.84d
134.553
146.478
268.425
315.365
398.062
229.589
129.273
-52.421
320.000
CH2O polyoxymethylene Solid c
CH2O Paraformaldehyde Cr c
CH2O FORMALDEHYDE
<!>
H2CO+ Formaldehyde cationed
H2CO- Formaldehyde anion
30.02598
30.02598
30.02598
30.02543
30.02653
-170.875d
-179.2
-109.16
948.386
-33.9d
Compound
Mol. Wgt.
397
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-30.7d ±5.5d
52.663 287.768 12.206
-197.85 ±5.5d
49.089 276.282 11.623
72.199
±6.
56.338 307.845 12.980
24.527 ±1.15
54.552 293.391 12.614
122.332
43.173 242.634 10.980
-256.4d ±5.5d
47.046 264.426 11.252
±0.66d
-88.547 ±0.74
50.951 270.365 11.854
-38.81
58.983 286.942 13.098
-73.81
37.663 207.948 10.152
-28.572
±8.
39.568 229.665 10.429
±0.55d
-444.65 ±0.53d
42.869 246.347 10.693
242.229 ±0.93
37.768 224.307 10.197
1457.2d ±2.5d
38.062 234.863 10.207
193.1d ±1.2d
36.164 218.240 10.075
276.24 ±1.31
38.072 229.017 10.211
294.689 ±1.31
38.892 229.493 10.278
953.4d ±1.6d
239.072 ±1.88
35.673 224.378 10.032
254.317 ±1.88
36.048 224.618 10.057
372.353 ±1.45
38.606 224.280 10.303
1168.99 ±2.46
40.770 219.260 10.537
-7.670
±8
52.145 261.635 12.373
161.568
±8.
47.206 253.626 11.203
±8.4
42.388 244.644
137.818
±8.
58.673 288.583 13.118
109.481
76.78 312.169 16.347
±0.55d
140.881
±8
51.224 242.169 11.864
153.138
±8
50.808 237.172 11.532
274.647
±8
51.781 242.272 11.969
323.136
±8.
41.463 237.580 10.420
406.387
±8.
45.208 246.252 10.866
238.224
±8.
61.025 275.259 13.897
141.310
±8.
70.391 293.002 14.835
-34.338
±8.
84.334 356.676 17.469
335.232
±3.
55.908 269.008 11.629
±0.21d
±1.6d
-105.322 ±0.11
945.814 ±0.13d
-24.0d ±2.2d
35.388
38.241
37.190
218.764
225.544
232.186
†#
#†
#
#
†
†
X
†
#
#
†
X
†
#
#
#
#
#
X
#
#
#
#
#
#
#
X
#
#
#
#
#
#
#
#
#
X
X
10.020 #†
10.237 #
10.155 #
Table 6 (continued)
Compound
Mol. Wgt.
HCOH trans HydroxyMethylene
HCOH cis HydroxyMethylene
HCOH triplet d
HCOH+ equil.
HCOH- equilc HydroxyMethylene
HCOH- trans d
HCOH+ cisd
HCOH- cis c
H2OC singlet Aquacarbon
H2OC triplet Aquacarbon
CH2OS O=CH-SH
CH2SO S=CH-OH
HCOOH (sol,liq) c
HCOOH FORMIC ACID equil.
HCOOH FORMIC ACID syn
HCOOH FORMIC ACID anti
HCOOH+ FORMIC ACID anti
HCOOH- FORMIC ACID syn
H2COO Dioxymethyl
H2COO+d
H2COO- c
H2C(O-O) Dioxirane (cyclo)
30.02598
30.02598
30.02598
30.02543
30.02653
30.02653
30.02543
30.02653
30.02598
30.02598
62.09198
62.09198
46.02538
46.02538
46.02538
46.02538
46.0248
46.02593
46.02538
46.02483
46.02593
46.02538
H2C(O-O)+ Dioxirane cation (cycl)
H2C(O-O)- Dioxirane anion (cy)
H2CS
H2CS2 S=CH-SH
CH3
<!>
CH3+
CH3CH3Brc (liq)
CH3Br
<~>
CH3Br+
CH3Cl (liq)dd
CH3CL
<^~>
CH3Cl+c
CH3F FC-41 (liq)c
CH3F FC-41
<~>
CH3F+
CH3Hg Methyl Mercury
CH3Ia (liq)
CH3I Methyl Iodide
<~>
CH3I+
CH3N (H2C=NH)Methyleneimine
CH3N+ (H2C=NH)+
CH3N- (H2C=NH)- c
HCNH2 Aminomethylene
46.02483
46.02593
46.09258
78.15858
15.03452
15.03397
15.03507
94.93852
94.93852
94.93797
50.48722
50.48722
50.48667
34.03292
34.03292
34.03237
215.62452
141.93899
141.93899
141.93844
29.04126
29.04071
29.04181
29.04126
fH298
kJ/mol
108.16d
126.63
216.0d
974.79
139.19
151.5d
989.5d
153.47
467.5d
439.5d
-123.54
-95.977
-425.29d
-378.49
-378.51
-362.10
722.5d
-267.1d
106.3d
1075.2d
45.03
1.61
[1.3]d
1049.93
-184.12
114.951
113.817
146.7
1101.792
144.4d
-59.78
-36.443
987.41
-102.38d
-81.87
1012.6
-246.78d
-236.577
979.4
188.28
-12.220d
14.30
941.1d
88.701
1055.02
215.20d
238.9d
398
 fH 0
kJ/mol
111.93
130.37
219.1d
972.268
148.443
153.4d
986.9d
161.6d
470.2d
441.4d
-117.365
-89.118
-432.13d
-371.196
-371.19
-354.86
723.3d
-254.7d
113.4d
1075.8d
57.1d
9.362
[9.0]d
1051.367
-170.416
118.676
119.588
150.0
1099.37
154.354
-56.77d
-21.034
995.72
-106.35d
-73.94
1014.15
-228.544
980.8
200.21
24.46d
944.75d
96.616
1055.988
228.7d
246.6d
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±0.43
36.066 225.212 10.059
±0.44
36.260 225.393 10.075
±1.4d
39.242 236.235 10.316
±1.48
37.716 229.514 10.186
±1.71
43.163 236.846 10.806
±1.8d
±1.8d
±1.9d
±2.4d
±2.1d
±8.
53.189 270.982 12.102
±8.
49.121 260.825 11.415
±0.24d
±0.25
41.305 247.148 10.928
±0.25
44.156 248.287 10.764
±0.41
45.523 249.035 10.974
±1.4d
±2.3d
52.768 264.607 12.322
±1.2d
47.169 249.361 11.090
±1.9d
47.660 256.228 11.271
±2.4
43.256 255.365 10.695
±1.14
41.778 240.562 10.450
#
#
#
#
#
X
X
X
X
X
#
#
X
†
#
#
X
#
#
#
0#
#
±2.13
±3.8
±8.
±8.
±0.08d
±0.077
±1.11
±0.187
±0.18d
±0.2
±0.2
±0.6
±0.2
±0.51d
±0.3
±0.64
±8.4
±0.19
±0.17d
±0.17
±1.
±2.06
±2.5d
±1.7d
#
#
#
#
#
#
#
X
#
#
X
†
#
X
#†
#
#
X
†#
#
#
#
X
#
42.799
43.256
38.196
56.137
38.417
34.749
34.938
246.502
249.601
231.186
276.474
194.008
186.827
193.515
10.567
10.695
10.209
12.575
10.366
9.983
9.999
42.312
48.635
245.954
250.568
10.607
11.508
40.741
42.293
234.396
240.874
10.416
10.599
37.505
42.408
46.073
222.826
229.921
260.58
10.135
10.563
11.165
44.084
44.946
38.084
45.222
253.007
260.267
221.567
235.558
10.816
10.952
10.176
10.925
45.152
240.492
10.960
Table 6 (continued)
Compound
HCNH2+
HCNH2- radical anion
CH3N Methyl-N Radical
H3CN+ Methylaminyliumyl quartet
H3CNCH3NO NITROSOMETHYL
OCHNH2 FORMAMIDE
CH2=NOH Formaldehyde Oxime
NCH3O FORMIMIDIC ACID
H3CNO CH2-NH=O
CH3NO2 NITRO-METHANE
CH3NO2- NitroMethane anion
CH3NO2 Methyl Nitrite CH3ONO
CH3NO3 METHYL-NITRATE
CH3N2 CH3N=N*
CH3N2 CH2*-N=NH
CH3N2 cy(-CH*-NH-NH-)
CH3N2 cy(-CH2-NH-N*-)
CH3N2O3 H2C(OH)-N*-NO2 rad
CH3N3 CH3-N=N=N MethylAzide
CH3N3O4 CH3N(NO2)2
CH3O MethylOxide
<!>
CH3O+ MethylOxide cation triplet
CHOH2+d Methylideneoxonium
CH3OCH2OH
<!>
CH2OH+
CH2OH- c
CH3OD
CH3OS HO-CH2-S* radical
CH3O2 Peroxymethyl Rad <~>
CH3OO+
CH3OO- MethylPeroxy anion
CH3S Thiomethoxy Radical
CH3SS
CH4 RRHO
<^!>
CH4 ANHARMONIC
<^!>
CH4+ Methane cation
CH4- Methane anion
CH4N CH3NH* Methylamidogen
CH4N+ CH3NH*+ c
CH4N- CH3NH*CH4N *CH2NH2 Aminomethyl
*CH2NH2+
*CH2NH2- c
CH4N2 AminMethenImine
NH=CH-NH2
Mol. Wgt.
29.04071
29.04181
29.04126
29.04071
29.04181
45.04096
45.04066
45.04096
45.04096
45.04096
61.04036
61.04061
61.04036
77.03976
43.04800
43.04800
43.04800
43.04800
91.04620
57.05474
121.05234
31.03392
31.03337
31.03337
31.03446
31.03392
31.03337
31.03447
33.04832
63.09992
47.03332
47.03277
47.03387
47.10052
79.16652
16.04246
16.04246
16.04191
16.04301
30.0492
30.04865
30.04975
30.0492
30.04865
30.04975
44.05594
fH298
kJ/mol
1039.34
343.96
316.0d
1477.4d
308.4d
70.760
-189.598
18.648
-121.537
66.421
-80.751
-98.479
-65.44
-122.005
236.216
332.448
461.257
383.158
40.715
297.29
95.793
21.0
1061.18
1042.05
-136.44
-17.0
716.400
-3.0d
-205.331
-33.849
11.941
1008.7d
-106.6d
121.470
80.00
-74.6
-74.6
1150.0d
-3.09
178.556
1131.42
128.601
148.743
758.317
194.92
49.764
399
 fH 0
kJ/mol
1040.83
357.252
323.8d
1478.4d
322.3d
80.677
-178.241
30.00
-109.866
78.102
-66.85
-79.426
-54.015
-107.13
246.971
343.709
472.900
394.889
58.170
309.93
117.605
28.4
1062.60
1043.19
-122.213
-10.7
718.00d
9.8d
-194.49
-23.935
21.801
1010.9
-90.27d
128.518
88.839
-66.633
-66.626
1150.86
+10.497
189.498
1135.2d
146.257
159.755
764.123
212.1d
64.424
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±2.6d
40.741 233.121 10.399
±2.6d
45.799 239.141 10.996
±1.6d
39.990 226.694 10.330
±2.6d
43.922 236.484 10.835
±1.8d
40.459 226.984 10.394
±8.
50.807 261.418 12.514
±8.
47.623 247.737 11.073
±8.
47.876 253.486 11.072
±8.
45.004 257.645 10.760
±8.
45.193 251.503 10.750
55.528 282.863 12.610
±8.
65.869 279.946 13.915
±1.
64.891 302.910 15.345
±4.2
76.597 305.793 16.234
±8
51.182 258.278 11.671
±8.
47.988 263.640 11.165
±8.
46.303 247.027 10.782
±8.
45.450 252.246 10.695
±8.
87.965 343.096 17.991
±8.
63.015 279.531 14.118
±8.
109.685 376.477 22.309
±0.36d
42.541 234.278 10.719
±0.7
40.994 230.786 10.391
±8.
43.951 231.894 10.760
±0.35
36.469 220.494 10.066
d
47.401 244.170 11.781
0.44
d
37.835 228.047 10.149
0.24
46.672 237.897 11.420
1.8
44.142 242.751 11.543
±8.
56.778 276.313 12.594
±0.90d
52.238 259.572 12.576
±2.4d
53.523 259.738 12.422
±1.
52.620 258.906 12.156
±8.
46.635 242.040 11.120
±8.
62.225 291.673 13.743
±0.3
35.613 186.314 10.023
±0.057
35.691 186.371 10.016
±0.26
44.371 196.529 10.925
±4.2d
42.817 195.995 10.600
±0.89d
46.408 234.833 11.383
±2.42
±0.78
44.039 235.077 10.866
±1.01
48.813 242.801 11.313
±1.75
40.290 230.359 10.322
±2.8d
±8.
55.783 258.454 12.000
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
†
†
#
#
#
#
#
#
#
#
†
#
#
#
X
#
#
#
X
#
Table 6 (continued)
Compound
CH4N2 Diaziridine -H2CNHNH(NH2)2C=O Solid UreaW
(NH2)2C=O Urea
CH4N4O2 (s) Nitroguanidine,
Picrite solid
CH4N4O2 Nitroguanidine, Picrite
CH4N4O2 NG (NH2)2C=N-NO2
CH3OH(L)
CH3OH
<^!>
CH3OH+ c
CH3OH –
CH2OH2 Methyleneoxonium rad
CH2OH2+
"
cation
CH4OS HO-CH2-SH
CH4O2 (CH3OOH)
<~>
CH3OOH+
CH4O2 CH2(OH)2 Methanediol
CH4S (CH3SH) MethylMercaptan
CH4S2 CH2(SH)2 Methane dithyol
CH4S3 CH(SH)3 Methane trithyol
CH5+ Methonium
CH5N liq CH3-NH2 liq
CH5N CH3-NH2 MethylAmine
CH5N+ CH3-NH2+ c
CH5N- CH3NH2- c
CH5N2 CH3N*NH2
CH5N2 CH2*NHNH2
CH5N3 GUANIDINE
CH5O+ CH3-OH2+ Rydberg Cation
CH6N+ CH3NH3+c
CH6N2 MethylHydrazine
CH6Sn CH3SnH3
CI Carbon Iodide
ICN
CI2 DiIodoCarbene
CI3 Triiodomethyl Radical
CI4 (cr) Tetraiodomethane monocli
CI4 TetraIodoMethane
CN
<~>
CN+
CNNaCN (cr,l)
CNO Nitrosomethylidyne
CNO+ c 67197-19-7 Cyanato Fulminato rad +
CNO- c Fulminated
CNO (NCO)
NCO+ Cyanato Cation
Mol. Wgt.
44.05594
60.05534
60.05534
104.06822
104.06822
104.06822
32.04186
32.04186
32.04240
32.04186
32.04131
64.10786
48.04126
48.0407
48.04126
48.10846
80.17446
112.24046
17.04985
31.05714
31.05714
31.05659
31.05769
45.06388
45.06388
59.07062
33.04925
32.06453
46.07182
136.76834
138.91517
152.92191
265.81964
392.72411
519.62858
519.62858
26.01774
26.01689
26.01799
49.00721
42.01684
42.01629
42.01739
42.01684
42.01629
fH298
kJ/mol
239.505
-333.11
-231.999
-95.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
255.450
±8.
46.098 242.397 10.714 #
±0.7
92.79
104.26
X
-215.617
±8.
77.445 299.707 14.618 #
X
89.295
48.162
-238.398
-200.94
852.493
39.37
149.2
825.9d
-177.816
-126.733
828.3d
-392.61d
-20.426
23.18
58.07
917.22
-44.69d
-20.91d
859.387d
48.65d
211.300
269.236
27.952
583.706
615.9d
109.41
118.407
570.201
222.1
468.394
405.984
392.5
336.09
438.68
1788.9
61.06
-90.709
390.02
1517.94
53.39d
128.040
1268.52
113.750
73.401
-235.063
-190.11
856.98d
52.909
158.2
830.046
-164.620
-114.22
834.7d
-379.21d
-9.927
34.99
70.6
922.482
400
-5.83d
867.473
69.366
228.491
236.059
48.939
585.97
628.572
130.443
136.091
568.358
222.6
470.
410.000
340.7d
435.4
1779.2d
63.972d
-98.283
389.161
1509.5d
59.4d
127.57
1261.69
±8.
±8.
±0.17
±0.18
±0.33
±2.94
±4.1
±4.5d
±8.
±0.91d
±5.7d
±1.d
±8.
±8.
±8.
±0.5
±0.58
±0.53d
±2.28
±3.85
±8.
±8.
±8.
±8.
±2.44
±8.
±4.2
±60.
±1.
±60.
±60.
±8.0d
±1.32
±2
±1.5
±0.1d
±1.60
±2.1d
±1.95
±0.39d
±0.58
106.201
106.906
81.080
44.039
358.208
348.642
127.269
239.81
60.480
58.337
52.353
64.058
66.753
310.882
259.615
247.500
276.592
275.904
56.171
50.185
70.897
94.990
40.147
254.327
253.190
288.644
320.990
214.892
48.831
48.751
52.338
64.884
68.327
75.796
51.102
50.770
68.911
73.750
36.908
48.420
50.945
70.550
235.325
255.530
250.270
276.081
287.002
297.900
244.423
245.598
274.188
285.712
241.318
257.340
304.324
361.033
95.819
29.156
29.463
29.151
69.036
43.004
42.452
40.179
39.989
42.256
391.347
202.643
196.935
196.576
118.457
231.132
258.382
221.186
232.229
224.660
19.555
18.762 #
18.995 #†
11.444 #†
X
14.988 #
13.329 #
11.987 #
13.546 #
14.160 #
X
12.269 #
11.903 #
15.001 #
18.728 #
10.764 #
X
11.570 #
12.275 #
12.040 #
13.703 #
14.071 #
14.223 #
11.902 #
11.923 #
14.081 #
15.907 #
9.494 †
11.470 #
12.643 †
16.831 #
X
22.327 #
8.672 #†
8.682 #†
8.671 #†
19.422 †
10.587 #
11.780 #
9.850 #
10.198 †#
10.357 #
Table 6 (continued)
Compound
NCO- Isocyanate Anion
C(NO) cyclo radical Oxazirinyl
C(NO)+ cyclo radical cation
C(NO)- cyclo radical anion
CNN
C=N≡N
<~>
CNN+ Diazomethyliumyl
CNNNCN (NCN)
<~>
Methanetetraylbisamidogen
NCN+ Cyanoaminyliumyl
NCNC(NN) cyclo
N
42.01739
42.01684
42.01629
42.01739
40.02418
40.02363
40.02473
40.02418
fH298
kJ/mol
-227.578
451.47
1573.6
444.38
573.47
1644.52
395.66
445.7d
40.02363
40.02473
40.02418
1668.52
199.52
580.58
70.03032
196.03286
28.0104
28.00955
28.01065
60.07610
44.00980
44.00950
44.00895
44.0090
44.01005
44.00950
44.0090
44.00950
44.00895
60.00945
352.1
82.383
-110.53
1247.812
36.2d
-141.700
-393.51
49.6d
943.137
1334.2d
-345.88
296.3d
1444.d
189.78
1417.9d
-580.74
356.1
101.687
-113.813
1238.337
39.1d
-141.836
-393.142
48.9d
936.107
1327.1d
-339.561
295.1d
1434.5d
189.062
1409.3d
-572.53
42.98446
44.0767
76.143
15.02675
21.05885
24.0749
195.8507
103.23470
24.0214
24.0214
24.02085
24.02195
51.00294
103.9260
520.162
278.550
116.70
583.827
115.725
-117.612
-40.54
-196.648
826.799
842.402
1980.05
505.3
675.616
623.667
517.860
275.307
115.913
588.876
118.338
-110.05
Mol. Wgt.
 fH 0
kJ/mol
-221.177
450.681
1566.84
449.54
572.816
1636.647
401.777
445.3d
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±0.56
38.296 219.928
9.525 #
±1.64
40.008 247.713 10.518 #
±2.74
38.442 240.676 10.291 #
±2.71
41.769 244.214 10.765 #
±3.2d
42.656 232.398 10.378 #†
±5.95
46.292 235.933 11.399 #
±3.15
39.970 219.837
9.804 #
±1.8d
41.946 225.814 10.180 #†
1661.023 ±5.86
205.784 ±1.75
580.23 ±4.31
43.990
39.121
36.072
228.261
219.761
232.352
11.023 #
9.657 #
10.076 #
64.612
176.076
29.141
19.137
296.398
503.712
197.657
203.230
14.435
33.810
8.671
8.671
41.549
37.135
37.135
41.799
231.650
213.787
222.922
228.017
9.942
9.365
9.365
10.566
38.598
39.823
221.010
242.861
9.612
10.452
39.823
43.810
51.134
237.099
256.619
273.431
10.452
12.047
12.059
29.910
29.799
45.482
29.290
44.704
43.945
35.378
37.899
29.214
29.326
29.400
29.241
47.818
45.103
216.257
210.559
237.889
192.044
220.760
205.285
32.374
33.321
190.673
200.552
204.179
196.599
252.941
295.017
8.715
8.708
10.664
8.706
11.294
10.630
N
*C(O)N3 Formil Azide Radical
C(NO2)4 TetraNitroMethane
CO
<^!>
CO+ d
CO- c
COS Anharmonic
<^>
CO2
<^!>
CO2 triplet
CO2+
CO2+ quartet
CO2- c
COO Dioxymethylidyne
COO+ doublet
C(OO) Cyclo Dioxyranilydene
C(OO)+ Cyclo cation
CO3- gas Carbonate anion
CO3Ca
see CaCO3
CO3Na2
see Na2CO3
CP
<&>
CS
<&>
CS2 Anharmonic
<^>
CT (C3H) Tritium Carbon
CT3 (C3H3) Methyl T-3
CT4 (C3H4) Methane T-4
CW Tungsten Carbide
ZrC Zirconium Carbide
C2 singlet 1+g
<!>
C2 triplet 3u
<!>
C2+ cation
C2- anion
ALC2
C2Br
401
±3.3
±0.17
±0.025
±3.1d
±2.
±0.13
±2.4
±0.023
±3.2d
±2.4d
±2.1
±3.7d
±1.71
±6.d
±8.
±10.
±3.8
±1.
±8.
±8.
-195.960 ±13.
820.31d ±[0.3]d
827.260
±8.
1968.3d ±2.5d
504.928 ±0.5
670. ±35.
626.39
±2.
5.862
8.675
17.248
8.685
8.676
12.263
11.648
#
#
†
†
X
†
†
#
†
X
#
#
X
#
#
#
#
†
†
†
†
#
#
#
†
†
#†
#
†
#†
†
#
Table 6 (continued)
Compound
C2Br2 DiBromoAcetylene
C2Br2F4 HALON 2402 (114B2)
C2Br3
C2Br4
C2Br5
C2Br6
C2CL
C2CL2 DiChloroAcetylene
C2CL2F2 CCLF=CFCL E(trans)
C2CL2F2 CCLF=CCLF Z(cis)
C2CL2F4 FC-114 CClF2-CClF2
C2CL2F4 FC-114 A CCl2F-CF3
C2CL3
CCl2F-CCLF2 FC-113
C2CL3F3 FC-113A
C2CL4
C2CL4+
C2CL5
C2CL5F CFC-111
C2CL6
C2D ETHYNYL-D
C2D2
C2D2O
C2D4
C2OD4
C2D6
C2D6N2 Azomethane-D6
C2D6O DimethylEther-D6
C2F
<~>
C2F2 FCCF
<~>
C2F2+ FCCF+
C2F3
<~>
C2F4 solid (teflon)
C2F4 FC-1114
<~>
C2F5
<~>
C2F6 FC-116
<~>
CF3-O-O-CF3
C2H ETHYNYL
<!>
C2H+ Ethynylium
C2H - Ethynide
C2HBr Bromoacetylene
C2HBr2
C2HBr3
C2HBr4 1,1,2,2-CHBr2CBr2
C2HBr4 1,1,1,2-CBr3CHBr
C2HBr5
C2HCL
Mol. Wgt.
183.8294
259.82301
263.7340
343.638
423.54200
503.44600
59.47410
94.92680
132.92361
132.92361
170.92041
170.92041
130.3795
187.37471
187.37471
165.8322
165.83165
201.2849
220.28330
236.7376
26.03550
28.04960
44.04900
32.07780
48.07721
36.10601
64.11949
52.10541
43.01980
62.01821
62.0177
81.01661
100.01501
100.01501
119.01316
138.01182
170.01062
25.02934
25.02879
25.02989
104.93334
184.83734
264.74134
344.64534
344.64534
424.54934
60.48204
±
fH298
 fH 0
kJ/mol
kJ/mol kJ/mol
322.05
333.250 ±3.45
-823.076
-802.65
±8.
385.388
405.674
215.584
218.816
283.257
318.915
165.480
209.480
534.083
530. ±50.
233.78
230.475 ±1.81
-341.486
-339.3
±8.
-339.548
-337.37
±8.
-931.777 -925.136
±8.
-943.71 -937.085
±8.
237.68
237.680
±8.
-732.186 -726.543
±8.
-759.145 -753.330
±8.
-21.064
-20.159 ±8.0
876.418
871.506
±8.
21.983
23.108
±8.
-348.473 -374.119
±8.
-162.110
-159.69
±8
565.940
561.364
222.672
222.470
39.915
42.544
30.270
38.111
-180.581 -170.731
-110.60
-94.786
119.248
138.518
-208.406 -192.046
353.847
350.00 ±50.
2.86
-0.375 ±1.55
1087.9d
1078.7d ±2.d
-228.175
-227.0 ±20.
-829.53d
±0.6
-675.34
-671.91 ±0.77d
-901.924 -896.557
±8.
-1350.52 -1342.167 ±1.63
-1464.6
-1454.5
±8
568.056
563.945 ±0.3
1697.10 1687.566 ±0.18d
274.776
277.476 ±0.41d
275.88
282.38 ±2.1
333.590
348.909
144.181
168.884
218.823
250.685 ±8.4
243.634
274.593 ±8.4
113.094
153.466
228.99
228.134 ±1.1d
402
S298
Cp298
H298-H0
J/mol/K J/mol/K kJ/mol
68.067 294.448 15.427
119.972 386.278 23.851
83.269 369.892 18.602
102.196 387.413 22.410
126.162 444.694 27.749
146.665 459.134 31.667
45.046 241.948 10.781
65.374 272.112 14.593
87.333 327.192 17.925
87.632 327.213 17.934
116.051 369.953 22.298
115.786 367.373 22.314
77.713 333.469 16.736
121.956 377.803 23.463
120.576 376.459 23.301
94.781 341.211 19.564
92.415 346.756 19.184
115.214 404.117 23.935
128.537 408.602 25.646
136.326 407.696 27.235
43.432 218.821 10.967
49.378 208.869 10.879
55.516 249.581 12.387
52.950 230.655 11.404
66.931 270.623 13.735
59.774 236.691 12.001
92.278 296.225 17.210
77.652 282.381 15.794
42.6 231.036 10.367
61.987 256.504 14.167
66.178
297.643
14.164
80.459
94.231
106.294
137.210
41.992
38.746
39.587
55.696
68.272
85.590
107.701
113.967
126.628
54.32
300.128
340.995
341.033
455.396
213.290
203.063
204.389
253.676
326.691
359.979
425.045
417.090
439.579
241.955
16.331
18.803
20.229
27.159
10.452
9.677
9.838
12.101
15.342
18.418
23.519
24.422
27.268
11.788
#
#
#
#
#
#
†
#†
#
#
#
#
#†
#
#
#†
#
#
#
#†
#
#
#
#
#
#
#
#
†
#†
X
†
X
†#
#
†#
#
†#
#
#
#
#
#
#
#
#
#†
Table 6 (continued)
Compound
C2HCLF 1,1-CLF Radical
C2HCLF2-1,1 FC-1122
C2HCLF2 cis FC-1131
C2HCLF2 trans
CF2H-CCLF2 FC-124A
CF3-CHCLF HCFC124
C2HCL2F-1,1+cis+trans FC-1121
CF3-CHCL2 HCFC123
CF2CL-CHFCL FC123A
CFCL2-CHF2
C2HCL3
<~>
C2HCL4
C2HCL5
C2HD Acetylene-D-1
C2HF
C2HF+ cation Fluoroacetylen
C2HF2
C2HF3
<~>
C2HF5 FC-125
HCCN singlet HC**-CN
HCCN triplet HC*=C=N*
C2HNO NC-CHO
C2HNO2 HCC-NO2
C2H(NO2)2 NO2-CH=C*NO2
C2HN7O2 Cy 5-Azido-2nitrotriazole
HCCO Ketyl Radical
<!>
HCCO+
HCCO- Ethynol aniond
C2HO3 KethylPeroxy *OOCH=C=O
C2HS* HC≡CS* radical
H2C2 VINYLIDENE
<!>
CCH2+ c
CCH2- Vinylidene anion
C2H2 ACETYLENE
<^!>
HCCH+
HCCHHCCH- cis
C2H2Br2 1,2-DiBromoEthylene
C2H2Br4 CHBr2CHBr2
C2H2CL CHCL=CH* Radical
C2H2CLF
C2H2CL2 CCL2=CH2
C2H2CL2-1,1+cis+trans equilib.
C2H2CL3 CH2-CCL3
C2H2F2-1,1+cis+trans equilib.
C2H2F2-1,1 FC-1132A
<~>
H2C2F2 cis
Mol. Wgt.
79.48074
98.47885
98.47885
98.47885
136.47563
136.47563
114.93314
152.92995
152.92995
152.92995
165.83220
166.84014
202.29284
27.04344
44.02774
44.02719
63.02615
82.02455
120.02136
39.03608
39.03608
55.03548
71.03488
117.04042
155.07532
41.02874
41.02819
41.02989
73..02754
57.09534
26.03728
26.0367
26.03783
26.03728
26.03673
26.0378
26.0378
185.84528
345.6532
61.48998
80.48868
96.94268
96.94268
132.39538
64.03409
64.03409
64.03409
fH298
kJ/mol
101.87
-333.654
-323.569
-323.103
-908.397
-930.714
-168.648
-757.45
-719.414
-709.983
-11.226
21.824
-160.410
225.434
104.419
1195.77
-42.5
-487.84
-1120.00
526.552
476.541
44.120
278.654
328.398
508.722
178.3
1147.93
-53.565
77.161
360.724
412.272
1515.16
359.01
228.20
1333.918
353.07d
377.1d
99.286
32.719
274.767
-165.393
2.2
3.410
71.864
-336.4
-332.93
-306.5
403
 fH 0
kJ/mol
103.90
-329.16
-319.158
-318.531
-899.425
-921.556
-164.97
-748.879
-711.363
-701.888
-7.316
26.108
-153.83
225.632
103.727
1188.99
-40.52
-482.59
-1110.4
524.380
475.094
46.152
283.597
339.383
528.410
177.258
1138.9d
-48.07
80.506
359.337
411.973
1508.6d
364.3d
228.769
1328.441
359.5d
383.0d
119.008
69.245
277.937
-159.0
8.084
8.284
77.770
-329.48
-326.00
-299.80
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±8.
63.592 289.422 13.317 #
76.650 304.242 15.263 †
75.394 304.601 15.346 #
75.149 303.573 15.184 #
±8
99.463 343.448 19.610 #
±8
98.642 343.304 19.424 #
77.324 320.190 16.259 †
±8
102.625 352.494 20.189 #
±8
104.631 366.615 20.710 #
±8
104.481 363.468 20.665 #
±8
79.750 327.774 16.560 #†
±8.
100.608 375.159 20.419 #
±8.
113.348 379.920 22.716 #
46.615 210.682 10.428 #
±0.93
52.268 231.573 11.446 #†
±8.
51.366 236.805 11.334 #
±17.9
59.249 279.393 13.183 #
±8.4d
69.191 292.665 14.328 #†
±8.
95.808 334.635 18.776 #
±8.
50.901 252.653 12.848 #
±8.
51.486 247.916 12.848 #
±8.
55.793 270.935 12.123 #
±8.
69.580 289.604 14.414 #
±8.
107.603 339.383 21.386 #
±12.5 134.619 406.367 25.731 #
±1.5
49.975 246.408 11.665 #†
±2.5d
50.317 244.396 11.865 #
±0.85
47.880 239.169 11.380 #
±8.
71.005 313.210 16.016 #
±8.
55.711 248.858 12.139 #
±0.61
42.614 221.021 10.874 #†
±2.56
X
±0.82d
39.330 224.438 10.341 #
±0.15d
44.001 200.917 10.006 †
±0.193
42.839 206.479
9.854 #
±3.0d
X
±3.2d
X
±8.
69.704 313.877 15.373 #
±8.
107.898 398.858 23.089 #
±8
53.700 270.153 11.996 #
±15
64.216 283.339 13.469 †
±1.4
67.725 288.353 13.872 #
68.847 297.020 14.882 †
±8.
95.682 331.217 18.441 #
±4
60.237 266.054 12.480 †
±2.31
60.237 266.054 12.480 #
±5.
58.349 268.723 12.701 #
Table 6 (continued)
Compound
F2C2H2 trans FC-1132
<~>
C2F3H2 CF3CH2* Radical <~>
CF3-CFH2
<~>
CHF2-CHF2 HFC-134
C2H2I2 trans & cisd
C2H2N CH2CN Methyl-Cyanide
C2H2N CH2NC MethylIsocyanate
C2H2NO NC-CH2-O*
C2H2NO2 NC-CH2-O-O*
1,2-C2H2(NO2)2 trans
CH2CO Ketene singlet
<!>
CH2CO Ketene triplet
CH2CO+ c
CH2CO- c
HCCOH ETHYNOL
<!>
HCCOH+ c
(CH=CH)O Oxirene singlet
64.03409
83.03249
102.03089
102.03089
279.84622
40.04402
40.04402
56.04342
72.04282
118.04896
42.03668
42.03668
42.03613
42.0372
42.03668
42.03613
42.03668
fH298
kJ/mol
-303.73
-517.142
-913.3
-883.3
207.430
257.78
358.23
175.619
177.987
40.953
-48.579
179.5d
885.29
-23.9d
93.3
1067.0
275.93
 fH 0
kJ/mol
-297.15
-508.946
-902.01
-872.21
215.116
260.54
360.59
181.426
185.371
56.131
-45.460
182.6d
882.19
-14.7d
95.408
1063.22
276.6d
42.03668
42.03613
58.03608
58.03608
58.03608
58.03668
58.03608
387.7d
1112.34
-155.16
-27.953
-212.08
-193.86d
-177.92
391.9d ±2.8d
1109.7d ±5.3d
-149.807
±8.
-24.487
±8.
-206.51 ±0.6d
-188.42d ±0.73d
-170.37
±8.
44.014
48.719
61.975
69.504
60.409
248.063
247.073
288.151
325.406
272.483
53.635
263.960
#
#
#
#
†
X
11.713 #
74.03548
-477.56
-468.578
±8.
70.634
292.297
14.601 #
90.03488
90.03488
58.10328
122.23528
27.04522
27.04467
27.04577
27.04522
27.04522
27.04467
27.04577
106.94922
138.94802
266.75722
62.49792
78.49732
-819.28
-721.37
257.764
234.551
296.580
1122.34
226.583
508.63
637.5d
1332.93
448.65
74.070
-383.5
3.18
22.1
-272.69d
-710.756
259.376
240.230
300.867
1119.2
237.256
512.743
642.0d
1329.88
458.95
89.049
-364.61
34.718
29.68
±0.451
±2.1
±8.
±8
±0.45d
±0.67d
±1.00
±1.31
±2.3d
±2.8d
±2.8d
±0.68d
±3.1
±8.
±1.02d
±0.33d
86.178
60.982
85.859
42.071
50.714
40.011
42.923
320.649
259.376
330.750
233.663
225.350
227.870
227.225
17.322
13.375
18.132
10.522
11.780
10.334
10.696
48.451
42.996
54.824
80.542
97.982
53.681
225.885
221.440
275.474
337.015
355.210
264.024
11.661
10.706
12.090
16.862
20.051
11.820
Mol. Wgt.
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±5.
60.074 267.847 12.955
77.092 298.883 15.616
±17.5
86.273 315.752 16.937
±5.5
84.129 313.143 17.130
±0.43
71.559 266.264 16.085
54.345 255.826 12.356
±8.
53.971
256.71 12.550
±8.
61.512 281.028 13.444
±8.
74.150 312.514 16.207
±8.
108.234 360.962 21.428
±0.15d
51.740 251.442 11.796
±1.3d
±0.15d
51.239 248.303 11.814
±2.4d
±1.4d
57.592 249.544 12.810
±2.6d
55.952 291.819 12.495
±3.1d
54.213
245.56 11.925
#
#
#
#
#
#
#
#
#
#
†
X
#
X
#
#
#
O
(CH=CH)O Oxirene triplet
O(CH=CH)+ Oxirene cationd
C2H2O2 HOCH=C=O
C2H2O2 HOC≡COH Ethyndiol
C2H2O2 trans & cis GLYOXAL
C2H2O2 cis GLYOXAL
C2H2O2 Oxiranone
10.608
11.188
13.902
15.789
13.682
O
O
C2H2O3 Glioxalic/Glioxylyc acid
O=COH-CH=O
(COOH)2 Oxalic Acid cristal c
C2H2O4 Oxalic Acid
C2H2S HC≡CSH Ethynethio
C2H2S3 S=CH-S-CH=S
C2H3 VINYL RADICAL
<!>
C2H3+ Vinylium Ion
C2H3C2H3 CH3C doublet Ethylidyne
C2H3 CH3C quartet Ethylidyne
C2H3+ CH3C+ cation
C2H3- CH3C- anion
C2H3Br Bromoethylene
<~>
C2H3BrO2 Bromoacetic Acid
CH3CBr3 1,1,1-Tribromoethane
C2H3CL Vinyl Chloride
CH3C(O)Cl liq Acetyl Chloride
404
X
#
#
#
†#
#
#
#
X
#
#
#
†#
#
#
X
Table 6 (continued)
Compound
CH3C(O)CL Acetyl Chloridel
C2H3CLO2 Chloroacetic Acid
C2H3CL3 CH3-CCL3
C2H3F Vinyl Fluoride
<~>
C2H3F2
<~>
CH3CF3 FC-143A
<~>
CH3CD3 1,1,1-Ethane-D3
C2H3I IodoEthylene
<~>
C2H3N CH3CN Methylcyanide
C2H3N CH3NC Methylcyanate
C2H3N cy(-CH=CH-NH-)1H aziridin
C2H3N cy(-CH2CH=N-)2H aziridin
C2H3NO NCCH2OH
C2H3NO2 NCCH2-O-OH
C2H3NO2 Nitroethylene
C2H3NO4 CH3C(O)-O-NO2
C2H3NO5 CH3C(O)-OO-NO2
C2H3ClN2 3 Me-3-ChloroDiazirine
C2H3N3 Cy 1-H-1,2,4-Triazine
1,1,1-C2H3(NO2)3 cr
CH3C(NO2)3
C2H3O (CH3CO) RADICAL<~>
C2H3O+ (CH3CO+) cation
C2H3O-c (CH3CO-) anion
C2H3O (CH2=CHO*) Radical
OH3C2 (*CH2CHO) RAD
<!>
C2H3O OXYRANE RAD
<!>
C2H3O2 HOCH2C*=O
C2H3O2 HOC*HCHOH
C2H3O2 *COOCH3 RADICAL
C2H3O2 CH3C(O)O* Acetic Rad
C2H3O2 H2C=CHOO Vinylperoxy
C2H4 ETHYLENE
<^!>
C2H4+
C2H4-d
CH3CH singlet c
CH3CH triplet c
CH3CH+ c 1-Ethylium-1-yl
CH3CH- Ethylidene anion
C2H4Br2 liq. CH2Br-CH2Br liquid
C2H4Br2 CH2Br-CH2Br
C2H4Br2 CHBr2-CH3 liquid
C2H4Br2 CH3-CHBr2
C2H4CL CH3CHCl* RADICAL
C2H4CL CH2ClCH2* RADICAL
C2H4ClF ClFHC-CH3
C2H4CL2 liq. CH2CL-CH2CLliq.a
Mol. Wgt.
78.49732
94.49672
133.40332
46.04362
65.04203
84.04043
33.08753
153.94969
41.05196
41.05196
41.05196
41.05196
57.05136
73.05136
73.05076
105.04956
121.04896
90.51140
69.06544
43.04462
43.04471
43.04462
43.04462
43.04462
43.04462
59.04402
59.04402
59.04402
59.04402
59.04402
28.0536
28.05261
28.0537
28.05316
28.05316
28.0526
28.05370
187.8611
187.8611
187.8611
187.8611
63.50586
63.50586
82.50426
98.95856
fH298
kJ/mol
-241.46
-427.6
-144.6
-140.1
-302.50
-755.66
-107.57
130.56
74.04
163.5
377.677
293.906
-49.710
29.476
29.518
-303.65
-254.64
244.107
806.25
-112.97
 fH 0
kJ/mol
-232.448
-416.0
-133.98
-134.7d
-293.172
-742.91
-92.313
139.6
81.09
169.982
385.257
282.278
-39.971
39.641
42.235
-287.915
-237.021
258.894
822.226
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±033d
66.868 289.950 14.728
±1.0
78.839 325.918 16.514
±2.0
92.410 320.413 18.025
±2.5
50.407 252.674 11.336
67.256 288.291 14.304
±1.0
78.074 287.652 15.298
±3.3
57.385 241.997 12.406
±1.12
56.071 299.640 12.368
±0.37
52.249 243.267 12.094
±7.2
52.947 246.658 12.660
±8.
52.533 249.962 11.564
±8.
45.962 245.879 10.779
±8.
64.965 280.796 13.745
±8.
82.503 323.081 17.659
±8.0
73.68 300.503 15.107
±8.0
101.794 351.943 20.765
±8.0
116.800 373.968 23.223
±8.0
62.654 290.737 13.283
±0.8
58.488 270.231 11.845
±0.8.4
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
X
-10.3
665.789
-55.6
12.753
12.753
164.473
-145.42
-176.05
-163.39
-192.79
105.772
52.500
1074.46
224.1d
366.85
354.46
1184.77
314.68
-79.31d
-37.5
-66.3d
-36.3d
80.718
97.998
-310.70
-165.24d
-3.6
666.3d
-43.8d
20.189
19.833
172.900
-136.978
-167.064
-154.616
-183.115
115.350
61.025
1074.912
236.8
374.724
361.5d
1185.7d
328.54
±0.41d
±1.1
±1.9
±8.
±8.
±8.0
±8.
±8.
±8.0
±8.
±8.
±0.15d
±0.15d
±2.3
±1.12
±1.11
±2.52
±2.04
±1.24
±1.3d
±1.34
±7.8d
±8.
±8.
±8.
±0.59
#
#
#
#
#
#
#
#
#
#
#
†
#
X
#
#
X
#
X
#
X
#
#
#
#
X
405
-10.491
-9.3d
90.154
108.416
-296.966
50.785
52.589
57.121
52.398
54.335
45.741
66.163
63.064
66.197
65.149
65.002
42.887
48.804
267.448
243.392
258.942
258.818
264.204
252.528
304.877
325.723
288.777
284.722
284.555
219.322
246.866
12.385
11.977
12.590
11.713
12.069
10.723
15.044
14.503
14.720
13.814
13.910
10.519
12.395
47.351
48.988
226.164
240.764
11.169
11.909
48.254
234.158
11.380
75.948
329.088
16.422
79.452
63.575
58.631
70.860
327.355
286.929
284.827
291.429
16.288
14.198
13.216
14.313
Table 6 (continued)
Compound
C2H4CL2 CH2CL-CH2CL FR150
C2H4CL2 liq. CH3-CHCL2 liq.a
C2H4CL2 CH3-CHCL2
C2H4O2CL2 Cl2-Peroxyethane
C2H4F CH3CHF  Radical <~>
C2H4F CH2FCH2*  Radical <~>
C2H4F2 CH2F-CH2F HFC152<~>
C2H4F2 CH3-CHF2 HFC-152a
(CIH2)2 cr
(CIH2)2
C2H4ON *C(O)CH2NH2 Rad.
1,1-C2H4(NO2)2 liq
1,2-C2H4(NO2)2 liq
1,2-C2H4(NO2)2 1,2-DinitroEthane
C2H4O VINYL-ALCOHOL
C2H4O OXYRANE
O
<!>
CH3CHO (liq) Acetaldehyde (l) c
CH3CHO ACETALDEHYDE <~>
CH3CHO
CH3CHO+d
CH3CHOHOCH2CHO Acetaldehyde-1-ol
CH3COOH liquid Acetic Acid c
CH3COOH ACETIC ACID
CH3COOH+ c
(HCOOH)2 Formic Acid dimmer
HCOOCH3 (liq) Methyl Formatec
HCOOCH3 MethylFormate
C2H4O3 HOCH2COOH
C2H4S CH2=CHSH
C2H4S2 CH3-S-CH=S
C2H4S4 2(HS)C=C(SH)2
C2H4S4 1,2,4,5-HexaCyC2H4S4
C2H5 ETHYL RADICAL <!>
C2H5+
C2H5- Ethanided
C2H5Br (liq)c
C2H5Br BROMOETHANE <~>
BrCH2CH2OH (liq)
BrCH2CH2OH
C2H5CL (liq)
C2H5CL CHLOROETHANE
98.95856
98.95856
98.95856
130.95796
47.05216
47.05156
66.04997
66.04997
281.86210
281.86210
58.05930
120.06424
120.06424
120.06424
44.05256
44.05316
fH298
kJ/mol
-130.07
-158.11d
-127.48
-231.38
-75.659
-61.091
-450.36
-500.45
9.26d
73.123
29.3
-149.37
-178.24
-96.65
-124.68
-52.635
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-117.37 ±0.6
72.544 303.542 15.531
±1.03
-114.438 ±1.1d
75.454 304.249 15.283
-215.17
109.993 362.046 20.697
-65.6
±8.
58.671 273.994 13.397
-51.271
±8.
60.737 278.832 13.636
-436.747 ±4.92
66.868 286.321 14.255
-486.52 ±5.6
67.266 282.502 13.939
±0.6d
88.350 ±0.9
77.887 340.936 17.012
41.35 ±3.3
74.484 304.116 15.667
±0.42
±0.42
-72.50 ±1.26 105.233 401.082 20.926
-114.963
65.701 274.186 13.662
-40.082 ±0.44d
47.624 242.870 10.831
44.05316
44.05316
-191.68d
-166.19
44.0520
44.05311
60.05196
60.05196
60.05196
60.05141
92.05076
60.05196
60.05196
76.05136
60.11916
92.18516
156.31716
156.31716
828.2d
-76.0d
-306.55
-484.21d
-432.253
888.25
-820.943
-386.146
-357.796
-583.0
80.475
78.185
159.373
105.060
-186.97d
-155.70
-75.95
832.01d
-59.3d
-294.036
29.06110
29.06055
29.61649
108.9651
108.9651
124.9645
124.9645
64.5138
64.5138
119.7
909.095
138.43
-91.46d
-63.54d
-275.17d
-220.75
-135.75d
-111.235
Mol. Wgt.
406
±0.35
±0.32d
±2.36
±0.33d
±2.5d
±8.
±0.17d
-418.12 ±0.49d
895.815 ±5.5
-804.171
±0.578
-344.396 ±0.6
-567.9 ±10.
90.314
±8.
89.762
±8.
170.530
±8.
120.373
±8.
±0.36d
±0.41d
±2.4
±0.28d
±0.27
±0.47d
-196.523 ±0.53
-134.13d ±0.22d
-96.65 ±0.22
130.773
914.835
156.402
-55.93d
-41.55d
89.05
55.319
117.3
263.952
57.011
66.391
267.304
309.242
63.439
65.408
96.142
283.473
291.067
332.785
62.436
87.074
63.260
77.657
137.717
112.256
286.254
318.610
275.636
299.960
406.563
348.918
50.679
48.713
50.513
242.984
237.490
239.988
64.206
287.668
77.931
325.767
62.654
276.218
#
X
#
#
#
#
#
#
X
#
#
X
X
#
#
†
X
12.897 †
X
X
13.285 #
15.206 #
X
13.597 †
13.961 #
19.632 †
X
14.323 #
#
13.616 #
16.271 #
25.534 #
21.379 #
12.204 #†
11.340 #
11.502 #
X
13.584 #†
X
15.651 #
X
13.283 #
Table 6 (continued)
Compound
ClCH2CH2OH (liq)
ClCH2CH2OH
C2H5CLO2 Chloroperoxyethane
C2H5F FLUOROETHANE<~>
FCH2CH2OH
C2H5I liq
C2H5I
IODOETHANE
<~>
ICH2CH2OH liq Iodoethanol liq
ICH2CH2OH Iodoethanol
C2H5N C2H3NH2 VinylAmine
C2H5N azeridine cy(-CH2CH2NH-)
NH2CH2C(O)OH (cr) Glycine solid
C2H5NO2 Glycine
NH2CH2C(O)OH
C2H5NO2 (liq) NITROETHANE
C2H5NO2 NITROETHANE
C2H5ONO2 ETHYLNITRATE
CH3OC(O)NH2
MethylCarbamate
C2H5N3 Ethyl Azide
C2H5N3O5 NENA
HN(NO2)CH2 CH2ONO2
C2H5O* ETHOXY RADICAL
C2H5O+ d
C2H5O- c
C*H2CH2OH RADICAL
CH2CH2OH+
CH3C*HOH
RADICAL
CH3C*HOH+ Hydroxyethylium
CH3C*HOH(CH2-CH2)OH+ Ethylene oxideoxonium (Protonatedoxirane)
C2H5O Dimethylether Radical
C2H5O+ CH3-O=CH2+
C2H5O2 HOCH2CH2O*
C2H5O2 HOCH2C*HOH
C2H5O2 EthylPeroxy Radical
C2H5O2 *C2H4OOH Radical
C2H5S* EthylThio Radical
C2H6 ETHANE
<^!>
C2H6+
C2H6C2H6Bi Bi(CH3)2 Radical
C2H6N (CH3)2N* Dimethylazide
C2H6N *CH2-NH-CH3
C2H6N CH3CH2NH* Ethylamine
C2H6N2 AZOMETHANE
80.5132
80.5132
96.5132
48.0595
64.05890
155.96557
155.96557
171.96497
171.96497
43.06784
43.06784
75.06664
75.06664
fH298
kJ/mol
-315.09d
-266.76
-212.966
-272.54
-424.32
-39.08d
-7.047
-207.2
-150.20
56.819
129.819
-333.5
-391.706
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±0.54d
-249.809 ±0.6
76.044 314.467 15.256
-194.27
92.223 336.239 17.853
-257.74 ±0.94
59.575 270.630 12.888
-407.063 ±1.05
72.550 304.856 14.773
-9.21d ±0.38d
+8.253 ±0.38d
71.670 298.362 14.575
±2.4d
-131.872 ±2.36
77.483 318.285 15.888
71.511
±8.
62.936 264.299 12.920
146.255
±8
51.223 250.221 11.076
409.6
-372.393
±8
87.389 359.646 16.979
75.06664
75.06664
91.06604
75.06664
-143.93
-107.972
-154.984
-412.
-88.531
-132.642
-392.6
±0.42
±8
±8.
±3.
80.584
94.998
88.782
320.078
325.634
307.374
X
16.851 #
18.291 #
16.905 #
71.08132
151.07832
266.872
-75.07
287.394
-44.758
±8.
±3.
80.026
138.102
303.042
433.078
15.761 #
27.670 #
45.06050
45.0600
45.06105
45.06050
-1.52 ±0.5
989.1d ±1.75
-163.672 ±0.51d
-13.3 ±0.6
±1.57
-41.93 ±0.6
609.389 ±0.4d
-19.95 ±2.4
725.04d ±0.62d
63.473
272.575
58.967
68.358
266.118
297.629
45.06050
45.95995
45.0610
45.05995
-11.47
981.63
-184.37
-25.82
1013.79
-55.29
601.016
-39.32
715.07d
64.038
59.266
68.077
52.329
288.991
264.216
282.703
246.649
17.666 #
X
13.117 #
15.095 #
X
14.263 #
13.047 #
14.446 #
11.266 #
45.06050
45.05995
61.05990
61.05990
61.05990
61.05990
61.12710
30.06904
30.06849
30.06959
239.04942
44.07578
44.07578
44.07578
58.08252
0.960
676.909
-159.636
-207.443
-28.70
40.543
97.6
-83.852
1036.13
-13.22
265.000
159.854
156.58
150.2
193.866
14.079
678.982
-143.869
-192.194
-12.642
63.548
111.4
-68.232
1044.68
+8.327
66.124
59.088
71.493
75.813
76.155
85.355
64.353
52.501
60.532
55.704
87.130
66.912
70.233
67.198
77.639
281.519
264.746
329.555
336.908
308.996
302.325
284.751
229.221
239.247
236.279
330.692
308.930
279.671
269.796
289.748
14.498
13.149
16.190
16.709
15.897
17.952
13.877
11.892
12.760
12.117
17.416
14.120
14.498
13.937
16.504
Mol. Wgt.
407
 fH 0
kJ/mol
177.58
174.07
168.1
213.543
±8.0
±8.
±8
±8.
±8.4
±8.
±8.
±0.2
±0.6
±3.1
±22.
±8.
±8.
±8.
±8.
X
#
#
#
#
X
#
X
#
#
#
X
#
#
#
#
#
#
#
#
†
#
#
#
#
#
#
#
Table 6 (continued)
Compound
C2H6N2O2 (CH3)2N-NO2
C2H5OH(L) ETHANOL LIQUID
C2H5OH ETHANOL
<^>
C2H5OH+
CH3OCH3 DIMETHYLETHER
CH3OH-CH2+ oxonium cation
C2H6OS CH3CHOHSH
C2H6O2 liq HO-CH2-CH2-OH liq c
C2H6O2 1,2-Ethane DiOl
C2H6O2 PEROXYETHANE
CH3OOCH3 Dimethylperoxyde
C2H6S C2H5SH Ethanethiol
C2H6S (CH3SCH3)Methylsulfide
C2H6S2 CH3-SS-CH3
C2H6S2 CH3CH(SH)2
C2H6Sb Sb(CH3)2
C2H7N (liq) CH3-NH-CH3 c
C2H7N CH3-NH-CH3
C2H7N CH3CH2NH2
C2H7N2 (CH3)2N-NH*
C2H7N2 *CH2(CH3)N-NH2
C2H7O+ (CH3)2OH+
C2H7O+ C2H5-OH2+
C2H8N2 SYM
Dimethylhydrazine
C2H8N2 UDMH
CCN Cyanomethylidyne <~>
CCN+
CCNCNC
<~>
CNC+c
CNC-c
N(CC) c cyclo
C2NO O=C*-CN
C2N2 NCCN DiCyanogen <^>
NCCN+
NCCN-c
CNNC Diisocyanogen
CNNC+d trans-cis-equil
CNNC+c cis
CNNC-c
CC(NN) cyclo
NNCC Diazoethylenylidene
NNCC+ Diazoethylenylidene+
NNCC- DiazoethylenylideneCNCN Isocyanogen C=N-CN
CNCN +
90.08192
46.06904
46.06904
46.06789
46.06904
46.06789
78.13444
62.06784
62.06784
62.06784
62.06784
62.13504
62.13504
94.20164
94.20104
151.82904
45.08372
45.08372
45.08372
59.09046
59.09046
47.07583
47.07583
60.09840
fH298
kJ/mol
-4.8
-277.51
-234.95
784.495
-183.935
797.630
-218.112
-455.169
-389.362
-162.080
-125.5
-43.514
-35.376
-17.732
-8.841
143.93
-41.104
-15.259
-47.946
207.685
258.655
562.238
527.762
106.173
 fH 0
kJ/mol
20.279
-269.74
-217.641
796.087
-166.438
808.080
-198.611
60.09840
38.02814
38.02759
38.02869
38.02814
38.02759
38.0287
38.02814
54.02754
52.03488
52.03433
52.0354
52.0349
52.03433
52.03433
52.0354
52.0349
52.0349
52.03433
52.0354
52.03488
52.03433
93.487
679.07
1721.81
403.05
675.85
1623.85
475.63
725.46
210.00
309.28
1606.684
278.3d
613.0
1832.17
1843.92
457.36
836.03
659.5
1785.3d
532.3d
413.04
1660.3d
121.271
674.474
1710.21
405.662
670.935
1612.15
478.1d
721.491
207.188
307.342
1598.26d
281.4d
610.1
1823.0d
1835.0d
456.7d
833.6d
656.9
1777.0d
536.0d
410.376
1652.8d
Mol. Wgt.
408
-369.547
-142.228
-106.773
-27.099
-19.028
-1.486
+9.474
+6.501
-26.072
232.276
281.792
570.996
536.286
133.504
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
103.204 328.138 19.783
±0.22d 112.250 160.100 24.082
±0.22d
65.309 280.593 14.542
±0.74
70.662 285.132 14.062
±0.45
65.823 267.381 14.354
±8.
72.130 282.717 15.204
±8.
87.856 304.223 16.782
±0.375
±0.49d
74.572 323.647 16.376
±8.
80.747 315.739 16.340
±5.0
84.582 304.378 17.464
±8.
71.312 300.135 15.509
±8.
71.824 285.936 15.576
±8.
90.588 359.431 20.089
±8.
94.614 336.961 18.021
±4.5
78.064 326.197 17.351
±0.7
±0.69d
68.541 267.185 14.320
±8.
69.963 270.795 14.321
±8.
81.384 294.772 15.824
±8.
90.949 322.581 17.279
±8.
69.946 273.423 14.933
±8.
72.680 280.690 15.171
±8.
86.934 310.941 17.319
±8.
±4.4d
±6.08
±5.83
±4.0d
±6.2d
±5.76
±4.95
±10.
±0.43
±0.43
±2.7d
±1.7
±3.40
±3.5d
±5.50
±3.52
±3.0
±6.1d
±5.8d
±1.54
±1.7d
90.405
44.231
45.805
40.937
45.042
45.473
305.644
237.159
234.357
221.099
233.804
228.587
16.866
11.089
11.847
10.027
11.357
11.946
39.399
56.145
57.085
56.884
238.890
278.187
242.204
249.252
10.411
13.594
12.715
12.828
56.010
280.826
13.478
54.451
54.908
290.381
282.958
13.441
13.154
#
†
†
#
#
#
#
X
#
#
#
#
#
#
#
#
X
#
#
#
#
#
#
#
#
#†
#
#
#†
#
X
#
#†
†
#
X
X
#
X
X
X
X
X
X
#
#
Table 6 (continued)
CNCN- trans-equil
CNCN- cis
(CN)2Hg Hg(CN)2(solid)
(CN)2Hg Hg(CN)2(gas)
C2N2O2Hg Hg-Fulminate
C2(NO2)2 Dinitroacetylene
C2(NO2)4 Tetranitroethylene
C2N6O3 FTDO explosive
52.03543
52.03543
252.62488
252.62488
284.62368
116.03248
208.04356
156.06004
fH298
kJ/mol
381.4d
383.3d
263.6
-372.4
396.894
349.046
?324.3
661.7
C2(NO2)6 cr Hexanitroethane
C2(NO2)6 Hexanitroethane
C2O
<!>
C=O=C triplet
C=O=C singlet
COC+d C=O-C doublet
COC+d C=O-C quartet
COC- c C=O-C
CCO Dicarbon monoxide
CCO singlet
CCO+c
CCO-a
C2S2
C2Si see SiC2
C2.231H3.006O3.721N0.751
Nitrocellulose
C3 singlet 1+g
1,2-Propadiene-1,3-diylidene
C3 Cyclo c singlet
C3 Cyclo c also triplet
C3+ c Cyclo Propynylidyne
C3- Cyclo
C3+ d linear
C3+ c g CAS # 118090-85-0
C3- c
C3Br2 BrC*=C=C*Br
C3Br3 Br2C=C=C*Br
C3Br3 1,2,3-triBrCyPropene-1-yl
C3Br4 Br2C=C=CBr2
C3Cl2 ClC*=C=C*Cl biradical
C3Cl2 Cy (-ClC=C=CCl-)
C3Cl3 1,2,3-triClCyPropene-1-yl
300.05464
300.05464
40.02080
40.02080
40.02080
40.0203
40.0203
40.02135
40.02080
40.02080
40.02025
40.02135
88.15340
80.33
142.256
385.68
656.9d
725.2d
1589.1d
1822.4d
547.95
378.9d
457.9d
1442.8d
150.08d
376.660
99.87
-291.462
36.03210
822.025
813.770
36.03210
36.03210
36.0316
36.0326
36.03155
36.0316
36.0326
195.84010
275.74410
275.74410
355.64810
106.93750
106.93750
142.3902
1005.9d
911.90d
1967.d
663.5
1988.9d
1967.1d
623.41d
611.533
449.906
529.192
316.394
519.876
214.260
398.434
999.1d ±2.7d
905.0d ±2.0d
1953.7d ±2.2d
662.577
±8
1973.9d ±3.d
1953.8d ±2.4d
622.2d ±1.7d
622.068
±8
468.756
±8
548.69
±8
343.175
±8
514.996
±8.
226.60 ±120.
396.717
±8
Compound
Mol. Wgt.
Cl
Cl
*
Cl
409
±
 fH 0
kJ/mol kJ/mol
383.9d ±2.9d
386.6d ±2.9d
±8.4
-370.741 ±9.4
404.358 ±20.
356.251
±8
N/A
680.8 ±16.7
±0.42
168.321 ±0.84
381.641 ±1.9
652.6d ±3.3d
720.8d ±1.7d
1575.8d ±2.3d
1812.2d ±2.3d
550.592 ±2.02
374.8d ±1.3d
453.5d ±1.3d
1431.5d ±2.2d
152.6d ±1.35
373.831
S298
Cp298
H298-H0
J/mol/K J/mol/K kJ/mol
55.757 275.641 13.523 #
X
X
83.042 341.379 18.461 #
104.559 354.029 21.336
102.603 353.895 20.933 #
184.031 468.771 35.016 #
121.751 358.564 21.409 #
286.780
43.134
624.839
233.624
40.940
221.850
42.991
47.324
40.940
62.030
225.193
237.047
227.613
274.120
X
54.133 #
10.486 #
X
X
X
X
10.003 #
X
10.550 #
11.435 #
10.003 #
13.760 †
±1.
±1.1d
X
42.203
237.613
12.109 #†
38.428
45.509
228.532
223.300
10.281
11.844
77.501
96.993
94.196
117.375
77.130
83.062
88.840
335.224
393.290
423.079
420.589
319.091
266.312
347.538
17.146
21.090
20.443
25.420
17.220
X
X
X
#
#
X
X
#
#
#
#
#
18.649 #
Table 6 (continued)
C3Cl3 Cl2C=C=CCl* radical
C3Cl3O* Cl2C=C=CCl(O*) rad.
C3Cl4 Cl2C=C=CCl2
C3D4 Propyne-d4 CD3C≡CD
C3D4 Cyclopropene-D4
C3D6 Cyclopropane-D6
C3F Radical
C3F3 FCC-CF2*
C3F3 *CC-CF3
C3F4 PerFluoroAllene
C3F6 Hexafluoropropene
C3F7 RADICAL
C3F8 FC-218
C3H HCC-C
C3HBr2 1,3-DiBromoAllene Rd
C3HBr2 1,1-DiBromoAllene Rd
C3HBr2O BrHC=C=CBr(O*)
C3HBr2O Br2C=C=CH(O*)
C3HBr3 TriBromoAllene
C3HCl2 DiChloroAllenyl Radical
C3HCl2 1,1-DiChloroAllenyl Rd
C3HCl2O* H(Cl)C=C=CCl(O*)
C3HCl2O* Cl2C=C=CH(O*)
C3HCl3 TriChloroAllene
C3HF7 FC-227EA
C3HN HCCCN CyanoAcetylene
C3H2(1) CyPropenylidene <!>
C3H2(3) H2C*-CC*
<!>
C3H2(3) *HC=C=CH*
<!>
C3H2(1) HC-CCH*
<!>
C3H2Br2 HBrC=C=CHBr
C3H2Cl HClC=C=H*
C3H2Cl2 HClC=C=CClH
C3H2Cl2O ClHC=C=CCl-OH
C3H2F3 CF3-CH=CH*
C3H2F3 CF3-C*=CH2
C3H2F4 CF3-CF=CH2
C3H2N HC*=CH-CN
C3H2N4O4 DiNitro-1,3-
142.3902
158.38960
177.8429
44.08851
44.08851
48.11671
55.030503
93.02731
93.02731
112.02571
150.02252
169.02182
188.01933
37.04004
196.84804
196.84804
212.84744
212.84744
276.75204
107.94544
107.94544
123.94484
123.94484
143.39814
169.02092
51.04678
38.04888
38.04888
38.04888
38.04888
197.85598
73.50068
108.95338
124.95278
95.04319
95.04319
114.04159
52.05472
158.07254
fH298
kJ/mol
311.296
95.571
135.1
173.408
263.592
32.850
564.957
-134.419
-79.078
-553.685
-1157.253
-1347.122
-1784.70
719.393
420.032
406.015
195.142
239.032
234.185
328.356
311.633
104.792
151.578
148.871
-1564.82
368.414
476.976
651.030
755.254
817.972
250.120
328.164
161.440
-4.954
-376.895
-374.941
-813.261
442.855
120.918
Imidazole
C3H3 PROPARGYL RADICA<!>
C3H3 Propynyl Rad.H3CCC*<!>
C3H3+ H3C-CC*+
C3H3- H3C-CC*-
39.05592
39.05592
39.0554
39.05647
351.506
528.35
1542.2d
251.585
Compound
Mol. Wgt.
410
 fH 0
kJ/mol
307.497
94.555
134.08
179.640
271.241
48.523
559.052
-135.23
-79.609
-551.89
-1150.95
-1339.5
-1773.9
714.091
434.370
419.337
210.448
254.141
306.937
326.877
310.755
105.885
152.696
150.575
-1552.4
367.225
477.960
650.361
751.668
816.374
268.615
329.399
165.569
+0.493
-369.47
-367.82
-803.168
445.486
141.714
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±8
95.298 372.338 20.731
±8
105.684 397.707 22.288
±8
109.297 371.955 22.545
68.774 259.569 14.066
63.845 254.235 12.650
72.723 251.483 13.195
±8
55.612 277.062 13.479
±8
81.990 326.463 17.210
±8
80.749 313.306 16.929
±8
92.135 336.733 19.021
±8
121.759 373.675 23.337
±8
135.964 416.386 26.401
±8.8
149.409 399.506 27.628
±8
53.430 247.795 12.696
±8
82.624 349.563 17.576
±8
88.647 353.450 18.593
±8
97.345 394.220 20.949
±8
97.059 384.601 21.145
±8
100.773 389.538 21.373
±8
82.314 340.860 18.055
±8
85.060 329.338 17.453
±8.
93.127 365.659 19.823
±8
92.814 359.360 19.797
±8
94.649 353.019 19.463
±8
136.690 399.058 25.901
±8
62.633 247.991 12.918
44.222 236.204 10.645
54.719 254.549 12.298
±62.7
67.953 260.782 15.215
±62.7
58.770 251.691 13.227
±8
84.110 340.818 17.653
±8
72.438 296.950 14.984
±8
80.178 316.701 16.680
±8
96.536 355.053 19.703
±8
90.727 323.105 17.442
±8
91.100 125.439 17.741
±8
101.255 327.768 19.186
±8
59.531 272.030 13.333
±12.5 137.176 403.986 25.533
353.7493 ±0.5
531.813 ±1.1d
1537.d ±16.d
261.405 ±0.71
64.891
53.
256.659
250.9
52.301
252.945
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
13.620 #†
12.400 #†
X
12.240 #
Table 6 (continued)
Compound
39.05592
39.05537
39.05537
39.05647
39.05592
39.05592
74.50862
74.50862
74.50862
74.50862
77.05273
96.05113
165.96039
165.96039
53.06266
53.06266
69.06206
fH298
kJ/mol
348.427
1201.645
1194.25
255.995
488.064
523.964
184.711
181.042
240.216
175.310
-224.440
-631.131
269.072
264.117
184.037
460.866
-15.468
 fH 0
kJ/mol
352.384
1198.416
1190.86d
265.575
492.719
528.592
189.553
186.923
247.474
181.577
-216.932
-619.51
276.353
272.127
190.874
469.119
-2.726
69.06206
81.199
93.865
±8
59.736
270.690
11.872 #
85.12866
151.494
163.370
±8
66.727
281.916
12.734 #
85.12866
159.733
171.655
±8
66.453
281.503
12.687 #
81.07614
224.593
240.191
±8.
67.767
270.403
13.269 #
Mol. Wgt.
C3H3 Allenyl RadicalCH2=C=CH*
C3H3+ [CH2=C=CH]+ cation
[CH2CCH]+ CAS# 21540-27-2
C3H3- [CH2=C=CH]- anion
C3H3 CycloPropenyl Radical<!>
C3H3 CH2(CH=C*) CyPrRad
CLC3H3 1-Chloro-1-propyne
C3H3Cl CH2Cl-CCH
3-C3H3Cl CY
C3H3Cl CHCl=C=CH2
C3H3F2 *CF2-CH=CH2
C3H3F3 CF3-CH=CH2
C3H3I CH2ICCH Propargyl Iod.
C3H3I CH2=C=CHI Allenyl Iod.
C3H3N CH2=CHCN
C3H3N cy(-CH=CHCH=N-) azete
C3H3ON (Cyclo) Oxazole
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±8
55.262 253.192 11.905
±8
59.173 239.329 12.894
±0.47
61.433 249.712 13.241
±0.79d
57.768 252.063 12.480
±0.92d
50.459 232.865 11.207
±0.85
50.378 253.102 11.235
±8
71.364 283.822 15.611
±8
70.579 291.229 14.572
±8
64.699 274.948 13.195
±8
68.274 288.295 14.186
±8
89.452 322.532 17.180
±6.
90.704 319.468 17.481
±12.5
74.028 310.672 15.180
±12.5
70.463 305.857 14.451
±8
59.387 263.290 13.361
±8
57.755 261.980 11.945
±8
58.893 270.124 11.795
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
O
N
C3H3ON (Cyclo) Isoxazole
O
N
C3H3NS (Cyclo) Thiazole
S
N
C3H3NS (Cyclo) Isothiazole
S
N
C3H3N3 1,3.5 Triazine cy
N
N
N
C3H3(NO2)5 liq.
11122-Pentanitropropane
C3H3O CH2=CHC*=O
C3H3O *CH2-CH=C=O
H4C3 PROPYNE
C3H4 ALLENE
C3H4 CYCLOPROPENE
C3H4CL *CH=CH-CH2CL
CLC3H4 *CH2-CH=CHCL
C3H4N CH3-CH*-CN
C3H4N2 Cy 1,3-DIAZOLE
<!>
<!>
<!>
<!>
55.05532
55.05532
40.06386
40.06386
40.06386
75.51656
75.51656
54.07060
68.07734
-57.32
±0.42
88.530
93.560
184.9
190.92
283.93
250.253
137.444
222.706
134.014
94.536
±8
98.786
±8
191.966 ±0.38d
198.412 ±0.37d
292.653 ±0.59d
259.680
±8.
147.12
±8.
232.213
±8.
150.376
±8
411
X
62.578
70.422
60.731
58.88
52.883
73.850
71.705
72.044
64.620
300.914
294.130
248.429
243.630
243.605
303.749
303.390
298.672
273.159
14.197
14.977
13.031
12.605
11.374
15.261
15.012
14.925
12.404
#
#
†
†
#†
#
#
#
#
Table 6 (continued)
Compound
C3H4N2 Cy 1,2-Pyrazole
1,3,3 TRI-NITRO-AZETIDINE
C3H4O ACROLEIN (2-Propenal)
CH2=CHCH=O
<!>
C3H4O CH3CH=C=O MeKetene
C3H4O2 CH2=CH-C(O)-OH
C3H4S HC≡CCH2SH
C3H5 Symmetric Allyl Radical
T-C3H5 CH3C*=CH2 “
" <~>
S-C3H5 CH3CH=CH* “ “ <~>
C3H5 Cyclo
C3H5Cl 1-Chloro-1-propene
C3H5CL 3-Chloro-1-propene
C3H5N PROPIONITRILE
CH3CH=CHNO2 Nitropropylene
C3H5NO2 NitroCycloPropane
C3H5NO4 Glycidyl-Nitrate
C3H5N3O6 liq 1,1,1-Trinitropropane
C3H5N3O9 (liq) Nitroglycerine
C3H5N3O9 Nitroglycerine
C2H5CO Propanal Radical
CH2COCH3 Acetone Radical
C3H5O Propylene Oxide Rad
C3H5O2 Propanoic acid Radical
C3H5O2 CH3-C(O)-OCH2*
C3H6 PROPYLENE
<~>
C3H6 CYCLOPROPANE <&>
C3H6N2O2 N-NITRO-AZETIDIN
68.07734
fH298
kJ/mol
180.481
192.08812
56.06326
128.449
-68.065
171.220
-59.554
±8.
8
134.987
72.005
357.315
307.778
20.706
15.925 #
56.06326
72.06266
72.12986
41.0727
41.0727
41.07180
41.07180
76.5245
76.5245
55.07944
87.07824
87.07824
119.07614
-56.663
-312.52
245.901
180.398
8
8
±8.
1.5
276.650
313.570
297.840
257.876
266.064
271.305
251.486
299.193
307.919
285.205
330.004
311.278
405.524
14.858
15.243
16.267
12.533
276.287
±8.
292.716 ±10.5
+4.937
8.
14.052
±8.
66.974
±8.
29.046 ±8.9
41.466
±8.
-134.345
±8.
±0.42
±2.
-246.14 ±2.7
-19.862
8.
-20.617
8.
118.072
8.
-197.658
8.
-205.562
8.
35.014 ±0.33d
70.455 ±0.53d
141.198
69.592
79.301
80.628
61.825
61.663
63.362
55.701
76.450
74.210
72.039
93.59
90.786
116.586
227.08752
227.08752
57.0712
57.0712
57.0712
73.07060
73.07060
42.07974
42.07974
102.09292
-66.241
-326.051
238.66
168.600
237.651
265.533
279.91
-8.100
0.369
53.191
9.987
21.033
-157.072
-120.92
-369.86
-279.073
-32.83
-33.34
104.069
-213.175
-221.639
20.000
53.30
114.123
234.24
67.859
72.843
71.197
79.370
85.269
64.433
55.572
100.656
545.865
308.527
307.518
293.196
337.845
316.985
266.668
237.488
328.954
13.577 #
#
15.884 #
15.239 #
14.883 #
18.288
16.913 #
23.300 #
X
X
43.458
15.703 #
15.948 #
14.667 #
17.494 #
16.934 #
13.551 †
11.410 †
18.840
134.09082
134.09082
134.09082
176.11104
176.11104
-141.0
-104.6
-72.496
239.6
288.11
-112.1
-76.4
-51.933 ±21.3
275.3 ±50.
320.4 ±50.
127.545
137.553
139.720
172.633
182.541
411.883
404.492
401.341
464.000
496.296
25.692
26.398
27.032
32.415
35.334
222.11748
79.078
248.95
259.8
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
196.898
±8
64.116 272.969 12.350 #
#
#
#
#†
O
N
+
O
-
N
C3H6N2O4 O2N-(CH2)3NO2
C3H6N2O4 C2H5CH(NO2)2
C3H6N2O4 (CH3)2C(NO2)2
C3H6N5O4 RDX radical
C3H6N5O4 RDX radical linear
*CH-N(NO2)-CH2-N(NO2)-CH2-NH*
C3H6N6O6 RDX Solid
412
#
#
#
#
#
Table 6 (continued)
Compound
C3H6N6O6 RDX 135 Triazine
O
+
O
222.11748
fH298
kJ/mol
192.000
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
233.285
230.174 482.441 39.331
58.07914
-123.645
-105.820
±8
76.848
304.783
15.080 #
58.07914
-145.963
-129.493
±8
80.079
295.360
16.434 #
58.07914
-163.176
-146.178
±8
80.493
292.412
15.907 #
58.07914
58.07914
58.08004
58.08004
58.07914
-101.504
-185.155
-247.46d
-214.814
-92.760
-82.242
±8.
-167.543
±8.
-244.34d ±0.37d
-199.39d ±0.37d
-74.271
±8.
71.826
75.275
279.262
288.844
74.207
72.671
295.660
281.487
13.643 #
15.293 #
X
16.193 †#
14.415 #
58.07914
-81.086
-61.49
±8.
61.826
274.672
13.499 #
58.07914
74.07854
74.07854
74.07854
74.07854
74.07854
74.07854
74.07854
90.07794
-100.378
-450.868
-445.89
-415.170
-394.2
-377.188
-239.572
-358.079
-610.278
-83.824
-431.289
±8.
±8.
76.313
82.546
308.229
333.431
-396.272
85.346
321.527
-357.631
-218.285
-339.727
-587.408
8.
0.8
8.
8.
8.
8.
84.642
84.003
97.070
101.214
329.799
317.884
339.595
354.204
16.351 #
17.666 #
X
18.347 #
X
17.688 #
15.959 #
18.892 #
18.715 #
90.07794
-476.05
-449.479
±8.
81.394
288.603
15.013 #
90.07794
74.14574
-578.534
65.220
-556.574
84.226
±8.
±8.
100.963
70.419
323.847
282.055
19.625 #
13.971 #
106.21174
139.172
159.557
±8.
88.195
324.318
17.004 #
43.0883
101.32
119.149
±1
71.309
290.460
14.970 †#
Mol. Wgt.
-
N
N
O
+
N
N
N
+
O
N
O
O
-
C3H5OH 2-Propen-1-ol
CH2=CHCH2OH
C3H5OH 1-Propen 1-ol
CH3CH=CHOH
C3H5OH 1-Propen-2-ol
CH3C(OH)=CH2
C3H5OH CycloPropanol
C2H5CHO Propionaldehyde <!>
CH3COCH3 (l) Acetone liq.c
CH3COCH3 ACETONE
<~>
C3H6O PROPYLENE OXIDE
H3C
O
<!>
C3H6O CY OXETANE
CycloTrimethylene Oxide
O
C3H6O Vinylmethylether
C3H6O2 Propionic acid
C3H6O2(liq) Methylacetate liq.
C3H6O2 Methylacetate ester.
C3H6O2(liq.) Ethylformate ester
C3H6O2
Ethylformate ester
C3H6O2 Glycidol OxyraneMethanol
C3H6O2 Hydroxyacetone
C3H6O3 Lactic Acid
CH3CH(OH)COOH
(CH2O)3 Cy 1,3,5-Trioxane
O
O
O
C3H6O3 DiMeCarbonat (CH3)2CO3
C3H6S THIETHANE
S
1,3-C3H6S2 cy Dithiolane
S
S
N-C3H7 PROPYL RADICAL<~>
413
Table 6 (continued)
Compound
I-C3H7 Isopropyl RADICAL <~>
1-C3H7I Iodopropane
2-C3H7I 2-Iodopropane
C3H5NH2 CY-PROPYLAMINE
C3H7N AZETIDINE
43.0883
169.99215
169.99215
57.09442
57.09442
fH298
kJ/mol
90.19
-30.177
-40.79
79.4
98.198
89.09322
-167.78
89.09322
89.09322
-128.46
-180.33
-102.277
±8.
±0.42
104.549
358.359
19.633 #
X
105.09262
105.09262
105.09262
105.09262
165.10490
-183.18
-200.55
-579.11
-732.73
-106.5
-154.215
-172.796
-551.829
±8.
±8.
±8.
±0.28
111.467
120.928
118.076
149.349
375.141
356.816
404.228
149.16
464.325
21.194 #
22.399 #
22.876 #
X
30.285 #
59.08708
59.08708
59.08653
59.08653
-35.468
-47.614
648.00
640.85
-14.540
-26.097
663.775
657.96
81.695
82.265
76.735
68.609
302.058
289.902
284.409
271.860
16.211
15.622
14.821
13.527
#
#
#
#
75.08648
75.08648
75.15368
75.15368
44.09562
60.09592
60.09592
60.09592
60.09502
60.09447
76.09442
76.09442
76.09530
76.09442
92.09382
92.09382
-42.468
-65.061
75.513
70.131
-104.68
-255.2
-318.17d
-272.7
-220.643
772.823
-181.786
-201.752
-345.967
-407.484
-669.6
-577.9
90.029
97.746
87.069
87.941
73.589
84.978
324.857
333.498
324.010
313.855
270.315
323.367
18.723
18.579
17.687
17.688
14.741
17.519
89.594
82.490
93.481
97.346
102.975
100.842
96.450
218.9
131.648
309.226
301.277
312.207
367.594
323.392
347.098
330.228
37.87(s)
400.000
17.265
16.934
18.716
20.391
18.501
20.938
18.625
#
#
#
#
†
†
X
†
#
#
#
#
#
#
X
#
76.16162
254.08394
59.11030
59.11030
61.10241
61.10241
61.10241
-64.890
194.
-45.739
-24.023
541.716
501.846
471.809
89.535
125.791
343.373
360.814
91.106
90.997
92.343
97.788
292.444
299.987
316.534
315.417
18.866 #
23.738 #
X
17.517 #
18.197 #
17.760 #
18.657 #
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
108.237
±2
65.545 290.109 14.725
-10.2
±2
94.506 353.401 19.420
-20.1
±2
91.324 335.155 18.707
102.718
±8.
74.006 274.444 13.816
122.224
67.14 267.274 13.087
†#
#
#
#
#
HN
1-C3H7NO2 liq 1-Nitropropane
liq
1-C3H7NO2 1-Nitropropane
2-C3H7NO2 liq 2-Nitropropane
liq
C3H7NO3 NPN Propylnitrate
C3H7NO3 IPN Isoproppylnitrate
C3H7NO3 L-Serine (gas)
C3H7NO3 L-Serine (solid)
C3H7N3O5 Methyl-NENA
CH3-N(NO2)CH2CH2ONO2
C3H7O N-PROPOXY RAD.
C3H7O iso-propoxy rad
C3H7O+ Me Oxyrane protonate
C3H7O+ CyTrimethyleneoxide
Protonated
C3H7O2 PropylPeroxy Radical
C3H7O2 iso-PropylPeroxy RAD
C3H7S C3H7S* ThiopropylRad.
C3H7S CH3CHS*CH3
C3H8 PROPANE HC 290 <~>
C3H7OH PROPANOL
(CH3)2CHOH (l) iso-Propanol liqc
(CH3)2CHOH 2-Propanol <&>
C3H8O CH3OC2H5 Me-Et-Ether
C3H8O+ (CH3)2O-CH2+
C3H8O2 n-Peroxypropane
C3H8O2 iso-Peroxypropane
C3H8O2 CH3-O-CH2-O-CH3
C3H8O2 1,3-Propanediol
C3H8O3 (L) Glycerol (liq)
C3H8O3 Glycerol/Glycerin
HOCH2CHOHCH2OH
C3H7SH
C3H9Bi TriMethylBismutine
C3H9N (liq) c
C3H9N (CH3)3N
C3H9O+ (CH3)3O+ cation
C3H9O+ n-C3H7OH2+ cation
i-C3H9O+ (CH3)2CHOH2+ cation
414
±0.84
-69.281
±8.
±8.
±8.
±8.
-19.712
±8.
-42.161
±8.
95.137
±8.
89.714
±8.
-82.388 ±0.29d
-231.35
-305.36d ±0.37d
-248.59 ±0.37d
-196.204
±8.
783.086
±8.
-156.330
±8.
-174.540
±8.
-321.13
±8.
-380.396
±8.
±0.6
-552.153 ±1.1
-42.311
+4.062
556.731
495.649
465.612
±8.
±14.
±0.6
±0.62
±8.
±8.
±8.
X
24.306
Table 6 (continued)
Compound
C3H9Sb Sb(CH3)3
C3H9Si Si(CH3)3 radical
C3H9Si+ Si(CH3)3 + cation
C3H10Si (CH3)3SiH
C3N2O NC-CO-CN
C3O2 OCCCO cr
C3O2
OCCCO+
OCCCO- c
C4 singlet 1Ag
C4 triplet 3-g
C4Cl2 Cl-CC-CCCl
C4CL6 Perchloro-1,3-Butadiene
C4D6 1,3-Butadiene d-6
C4F2 FCC-CCF
C4F6 Perfluoro 1,3-Butadiene
F6C4 Perfluorocyclobutene
C4F8 Perfluorocyclobutane
C4F10 FC-3110 Perfluorobutane
C4H
<I>
C4H2 1,3-Butadiyne
<!>
C4H2+ HCCCCH+
C4H2N2 Fumaronitrile
N≡C-CH=CH-C≡N
C4H2S HCC-S-CCH
C4H3 E,1-butene-3-yne-1-yl <~>
C4H3 i,1-butene-3-yne-2-yl <~>
C4H3 1,2,3-butatriene-4-yl
C4H4 1-Butene 3-yne
<~>
C4H4 Cyclobutadiene
C4H4N Pyrrole Radical
C4H4N- Pyrrole Radical anion
C4H4N2 PYRAZINE
Mol. Wgt.
166.86356
73.18906
74.1970
80.0449
68.0309
68.0309
68.03035
68.0314
48.04280
48.04280
118.94820
260.7590
60.12741
86.03961
162.03322
162.03322
200.03123
238.02803
49.05074
50.05868
50.05813
78.07216
±
fH298
 fH 0
kJ/mol
kJ/mol kJ/mol
38.5
62.9 ±4.2
24.175
48.091
±8.
630.2
±6.
-153.193 -125.366
±8.
247.5
246.523 ±6.4
-119.4d
-134.5d ±1.4d
-95.59
-98.834 ±1.4
935.95
925.4d ±1.41
-135.61
-133.1d ±3.d
1055.713 1046.544
±8
1059.720 1050.435
±8
453.592
447.208
±8.
-7.209
-7.411
±8.
64.94
77.47 ±10.5
215.309
210.191
±8.
-1004.160 -997.710
-1210.887 -1205.296
-1513.6
-2137.4
780.
775.015 ±50.
460.365
458.744 ±0.87d
1447.72
1440.94 ±0.9
330.996
334.8
±8.
S298
Cp298
H298-H0
J/mol/K J/mol/K kJ/mol
113.001 361.073 23.510 #
112.449 324.106 20.568 #
X
117.339 319.711 20.891 #
80.854 310.032 17.148 #
X
67.370 276.816 15.085 #†
68.855 273.531 14.816 #
X
58.639 245.962 13.383 #
59.078 255.801 13.499 #†
93.858 319.209 19.779 #
158.984 460.208 31.959 #
91.494 308.599 17.386 #
88.863 294.682 18.157 #
132.219 394.728 24.239 #
131.312 379.211 25.135 #
145.483
405.3
189.038 480.624
64.851 256.088 13.433 #
73.733 249.502 14.303 #†
67.073 244.003 13.262 #
85.445 308.998 17.549 #
82.12468
51.06662
51.06662
51.06662
52.07456
52.07456
66.08130
531.936
532.048
543.104
545.65
501.829
502.00
501.829 Resonant
287.859
294.717
431.722
440.911
291.704
304.440
±8.
±8
±8.
With
±8.
±8.
±8.
91.840
71.773
77.383
former
71.612
58.200
67.915
311.943
281.767
305.368
species
277.319
251.074
274.651
18.025 #
14.371 #
16.739 #
X
14.292 #
11.961 #†
12.750 #
66.08185
80.08804
81.433
195.811
100.675
212.069
±8.
±1.3
65.970
73.945
273.007
280.378
12.441 #
13.562 #
80.08804
196.648
212.864
±1.
73.69
280.677
13.645 #
80.08804
209.7
221.172
±0.9
92.458
325.114
18.349 #
112.08684
-429.6
N
N
C4H4N2 PYRIMIDINE
N
N
C4H4N2 SUCCINONITRILE
N≡C-CH2-CH2-C≡N
C4H4N2O2 (cr) Uracil
415
±0.6
X
Table 6 (continued)
Compound
C4H4N2O2 Uracil
112.08684
fH298
kJ/mol
-301.5
68.07516
-34.158
-21.015
±8.
65.407
267.239
12.347 #
68.07516
84.07336
22.719
-86.542
31.98
-72.051
±8.
±8.
81.797
81.320
309.171
284.595
16.229 #
15.339 #
116.07216
-696.469
-679.388
±8.
117.504
376.826
21.430 #
84.14056
115.96
128.240
±8.
72.818
278.908
13.282 #
53.08250
53.08250
53.08250
53.08250
53.08250
363.339
315.223
315.223
318.432
376.18
373.360
325.419
Resonant
327.890
385.19
±8.
±8.
74.144
77.138
with the
81.537
84.712
303.589 15.362 #
290.119 15.188 #
former species X
293.840 15.926 #
305.957 16.373 #
53.08250
53.08195
53.08195
67.09044
306.085
1083.0
1083.0
108.18
314.862
±8.
1085.3
±8.
Resonant with
124.857 ±0.81
77.774
77.900
the
71.6
300.775 16.607 #
295.958 16.909 #
former species X
276.875 13.042 #
67.08924
184.096
198.729
±0.84
78.733
292.673
15.086 #
111.10212
111.10212
-221.3
-69.5
-45.433
±2.3
±3.5
114.046
338.024
X
18.663 #
69.08190
69.08190
119.072
67.500
129.592
77.848
±8.
±8.
94.588
90.390
343.805
342.574
19.205 #
19.377 #
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-281.85 ±2.5
107.172 335.085 18.847 #
O
HN
O
N
H
C4H4O FURAN
O
C4H4O VINYL-KETENE
C4H4O2 1,4-DIOXIN
O
O
C4H4O4 Fumaric acid trans
OH
O
O
OH
C4H4S Thiophene
S
E-C4H5 1,3-butadiene 1-yl <~>
I-C4H5 1,3-butadiene-2-yl
T-C4H5 1,2,butadiene-4-yl <~>
C4H5 1-butyne-3-yl
<~>
C4H5 1-butyne-4-yl
*CH2CH2C≡CH
C4H5 2-butyne-1-yl
C4H5+ CH3-CC-CH2*+
C4H5+ CH3-C*=C=CH2+
C4H5N PYRROLE
±8.
±8.
H
N
C4H5N
Cyclopropanecarbonitrile
C4H5N3O (cr) Cytosine Cy
C4H5N3O Cytosine Cy
NH2
N
HO
N
C4H5O
C4H5O
*CH2CH2CH=C=O
CH3CH*CH=C=O
416
Table 6 (continued)
C4H5O2 CH3CH=CHC(O)O*
C4H5O2 *CH=CHC(O)-OCH3
C4H5O2 CH2=C*C(O)-OCH3
C4H6 1-Butayn Ethyl-acetylen <~>
C4H6 2-ButaynDimethylacetylen
1,3-C4H6 Butadiene
<~>
1,2-C4H6 Butadiene
<~>
C4H6 Cyclobutene
C4H6 MethyleneCyclopropan
85.08130
85.08130
85.08130
67.09044
54.09044
54.09044
54.09044
54.09164
54.09044
fH298
kJ/mol
-123.399
-56.053
-57.300
165.2
146.314
110.834
161.314
156.7
201.
C4H6CL2 1,4-Dichlorobutene
CL2C4H6 3,4-Dichlorobutene
C4H6N4O12 Erythritol Tetra Nitrate
C4H6N8O8 BiCycloHMX solid
C4H6N8O8 BiCycloHMX gas
BCHMX
124.99584
124.99584
302.11020
294.13956
294.13956
-51.882
-53.572
-447.69
172.3
231.835
286.903
70.08984
70.08984
70.08984
-88.303
-90.981
-63.911
-72.169
-75.393
-44.234
70.08984
70.08984
-101.940
-114.349
70.08984
70.08984
Compound
Mol. Wgt.
C4H6O CH3CH2CH=C=O
C4H6O (CH3)2C=C=O
C4H6O 2,5 Di-Hydro FURAN
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-109.182
±8.
93.927 358.064 19.848
-42.208
±8.
100.313 351.572 20.219
-44.908
±8.
105.344 372.811 21.672
178.798 ±0.85d
81.820 291.210 16.020
159.388 ±0.8d
77.886 291.909 16.544
125.118
±8.
74.219 293.330 15.335
175.436
±2.
78.663 290.993 15.496
173.761 ±1.6d
64.414 262.076 12.558
216.764
±2.
73.003 270.423 13.854
-34.587
-36.121
-399.66
±8.
±8.
#
#
#
†
†#
†#
#
†
#
108.341
109.803
264.947
386.083
379.398
680.976
240.868
572.745
21.505 #
21.349 #
51.012 #
X
43.952 #
91.448
93.628
72.849
343.487
301.334
283.465
17.824 #
18.370 #
14.282 #
-85.385 ±0.49
-97.333
±8.
88.502
89.733
307.987
314.569
17.404 #
16.943 #
-112.550
-66.931
-95.543
-49.053
±8.
±8.
89.556
89.870
314.470
316.787
16.952 #
16.080 #
86.08924
86.08924
86.08924
86.08924
118.08804
118.08804
118.08804
86.15644
86.15644
-363.184
-309.386
-365.53d
-325.482
-940.237d
-817.729
-500.
166.580
85.872
-344.680
-291.690
103.507
101.460
343.679
360.043
-310.25d
-918.54d
-794.955
-477.02
180.989
104.666
±8.
±8.
±0.57d
±0.987
±0.132
±0.59
±10
±8.
±8.
102.375
351.425
124.337
122.291
96.832
80.794
424.442
390.682
348.299
295.466
19.795 #
20.603 #
X
21.089 #
X
24.204 #
23.944 #
19.706 #
15.237 #
55.09838
55.09838
245.871
262.755
264.85
±8.
±8.
83.705
311.281
±8.
±8.
±8.
O
C4H6O trans-Croton Aldehyde
C4H6O cis-Methyl Vinyl Keton
CH3CO2CH=CH2
C4H6O trans-Methyl Vinyl Keton
C4H6O trans-1,3-Butadiene-2-ol
CH2=C(OH)CH=CH2l
C4H6O2 Crotonic acid E
C4H6O2 CH2=CHC(O)-OCH3
C4H6O2 liq Diacetyl liquid c
C4H6O2 CH3-C(O)-C(O)-CH3
C4H6O4 liq. Succinic acid c
C4H6O4 HOOC-CH2CH2-COOHd
C4H6O4 CH3-CO-OO-CO-CH3
C4H6S C2H3-S-C2H3
2,5 C4H6S Dihydrothiophene
S
C4H7 tt-1-Butene-1-yl
C4H7 cc-1-Butene-1-yl
<~>
<~>
417
16.968 #
X
Table 6 (continued)
Compound
Mol. Wgt.
C4H7 trans 1-Butene-2-yl
C4H7 cis 1-Butne-2-yl
C4H7 trans-2-Butene-2-yl
C4H7 cis-2-Butene-2-yl
C4H7 trans 3-Butene 1-yl Rad.
C4H7 cis 3-Butene-1-yl Radical
C4H7 trans (CH2=CH*CHCH3)
C4H7 cis –1-Methylallyl Radical
C4H7 2-Methyl-Allyl Radical
C4H7 Cyclobutyl Radical
C4H7N C3H7CN Propylcyanide
C4H7N3O9 liq
NO3CH2CH(NO3)CH2CH2NO3
C4H7N3O9 gas
NO3CH2CH(NO3)CH2CH2NO3
C4H7O *CH2CH2CH2CH=O
C4H7O CH3*CHCH2CH=O
C4H7O CH3CH2CH2*C=O
C4H7O C2H5C(O)CH2*
2-Butanone
C4H7O 2-Butanone Radical
C4H7O CH2=C(CH3)CH2O*
C4H7O2 CH3CH2CH2C(O)O*
C4H7O2 *CH2CH2C(O)OCH3
C4H7O2 CH3C(O)OCH2CH2*
C4H7O2 CH2=CHCH2CH2OO*
C4H8 CH2=CH-CH2-CH3
<~>
H8C4 CH2=C(CH3)2 Isobutene<~>
C4H8 2-Butene trans
C4H8 2-Butene cis
C4H8 CYCLOBUTANE
<~>
C4H8CL2S Mustard
Beta HMX solid
C4H8N8O8 HMX
55.09838
55.09838
55.09838
55.09838
55.09838
55.09838
55.09838
55.09838
55.09838
55.09838
69.10512
241.11320
C4H8O Cyclobutanol cyC4H7OH
C4H8O 2-Methyl-Allyl Alcohol
C4H8O n-Butanal
C4H8O 2-BUTANONE
H8C4O 2,3-Dimethyloxyrane
OC4H8 ETHYL-OXYRANE
C4H8O Tetrahydrofuran, Oxolan
C4H8O2 (liq) Butyric acid
fH298
kJ/mol
231.162
223.853
204.595
136.111
137.603
230.306
31.200
-414.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
248.45
±8.
83.973 300.371 16.425
248.11
±8.
239.743
±8.
83.237 313.256 17.962
243.09
±8.
220.915
±8.
84.719 317.348* 17.533
223.01
±8.
153.553
±8
80.787 306.087* 16.411
156.48
±8.
155.226
±5.
82.196 300.803 16.229
249.366
±8.
73.070 286.490 14.792
51.765
±8.
91.422 310.996 17.622
241.11320
-361.7
-318.32
71.09778
71.09778
71.09778
71.09778
2.494
-12.510
-51.313
-56.233
21.652
5.510
-32.787
-36.974
71.09778
71.09778
87.09718
87.09718
87.09718
87.09718
56.10632
56.10632
56.10632
56.10632
56.10632
159.07772
296.15664
296.15664
-75.994
55.748
-234.007
-229.166
-236.773
60.66
-0.031
-17.574
-11.185
-7.340
28.4
-124.77
74.894
187.862
-57.670
±8.
75.378
±8.
-212.646
±8.
-208.651
±8.
-216.138
±8.
82.05
20.819 ±0.47
3.46d ±0.52
9.391 ±0.5
13.946 ±0.52
52.889
-100.66
245.304
±25.1
72.10572
72.10572
72.10572
72.10572
72.10572
72.10572
72.10572
88.10512
-145.126
-161.143
-206.137
-239.973
-137.658
-115.960
-182.498
-533.92
-119.188
-137.34
-182.183
-218.121
-113.00
-91.115
-155.522
±8.
±8
±8.
±8.
±8.
±8
±8
±0.59
418
±8.
±8.
±8.
±8
#
X
#
X
#
X
#
X
#
#
#
X
218.793
580.703
42.538 #
96.363
101.188
97.923
100.468
368.530
356.878
352.974
344.546
19.034
20.172
19.666
18.934
#
#
#
#
97.420
96.143
103.763
111.373
108.389
106.957
85.601
86.018
87.670
80.150
72.096
136.283
307.302
275.455
344.655
334.259
378.873
376.723
381.911
372.450
305.372
287.454
296.330
301.310
259.083
420.586
320.0
568.833
19.868
18.562
21.172
22.018
21.898
21.145
17.236
16.220
17.510
16.800
13.597
27.569
#
#
#
#
#
#
#†
#†
†
†
#†
#
91.517
100.007
95.543
101.003
95.471
91.134
78.225
295.917
316.183
327.343
340.043
303.780
316.499
302.550
16.489
18.622
18.473
20.754
17.777
17.582
15.450
50.045
#
#
#
#
#
#
#
X
Table 6 (continued)
Compound
88.10512
88.10512
88.10512
88.10512
fH298
kJ/mol
-455.780
-437.291
-448.550
-295.068
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-429.750
±8.
102.582 367.660 20.736
-412.905
±8.
107.873 375.707 22.381
-424.136
±8.
107.786 377.409 22.352
-265.482
±8.
91.821 304.207 17.180
88.10512
120.1048
120.10392
-76.237
-929.015
-635.474
-50.932
-901.62
-600.627
±8.
88.17232
-30.702
120.23832
Mol. Wgt.
C4H8O2
Butyric acid
C4H8O2 Methyl Propionate
C4H8O2 Ethyl Acetate
C4H8O2 1,4 DIOXANE
#
#
#
#
O
O
C4H8O2 1-Peroxy-3-Butene
(CH3COOH)2 Acetic Acid dimer
C4H8O4 Tetraoxocan
±8
11.779
137.254
115.259
363.541
414.396
326.918
21.461 #
28.053 †
20.599 #
-4.196
±8.
87.38
300.156
15.993 #
20.635
48.493
±8.
109.655
326.500
19.053 #
120.23832
4.945
32.593
±8.
110.433
333.844
19.263 #
<~>
<~>
<~>
<~>
57.11426
57.11426
57.11426
57.11426
71.12100
81.80
73.785
70.224
55.041
-3.59
105.91
97.92
94.945
79.719
26.889
±8.
±8.
±8.
±8.
±0.8
94.555
98.111
86.395
82.410
82.112
307.628
304.662
327.417
323.393
309.206
19.797
18.063
17.538
17.010
16.177
C4H9NO2 Nitrobutane
C4H9NO2 (CH3)3CNO2
C4H9N3O5 Ethyl NENA
C2H5N(NO2)CH2CH2ONO2
C4H9O n-BUTOXY RAD
C4H9O I-BUTOXY RAD
C4H9O S-BUTOXY RAD
C4H9O T-BUTOXY RAD
C4H9O C2H5-O-CH2CH2*
C4H9O C2H5-O-CH*CH3
C4H8OH+ cy Tetrahydrofuran
Oxonium (CH2CH2CH2CH2)OH+
C4H9O2 Peroxy n-Butane RAD
C4H9O2 Peroxy s-Butane RAD
C4H9O2 Peroxy T-Butane RAD
C4H10 n-Butane HC 600 <~>
I-C4H10 ISOBUTANE
<&>
C4H10FO2P SARIN
103.11980
103.11980
179.13148
-152.452
-182.004
-133.9
-120.911
-149.238
-92.7
±8.
±8.
124.993
125.357
183.712
393.110
351.943
511.444
23.794 #
22.569 #
35.769 #
73.11366
73.11366
73.11366
73.11366
73.11366
73.11366
73.11311
-56.350
-65.070
-69.84
-86.923
-44.095
-74.697
529.067
-29.003
-36.703
-41.88
-58.899
-18.932
-49.959
553.199
±8.
±8.
±8.
±8.
±8.
±8.
±8.
101.794
101.777
102.025
106.062
109.732
109.080
86.994
349.126
319.038
327.058
309.188
366.749
370.674
293.796
19.314
18.294
18.700
18.637
21.498
21.922
15.892
#
#
#
#
#
#
#
89.11306
89.11306
89.11306
58.1222
58.1222
140.09437
-63.530
-84.557
-106.412
-125.790
-134.990
-963.157
111.895
116.539
122.218
98.651
96.643
161.667
381.549
380.506
367.903
309.884
295.493
412.013
22.217
22.482
22.748
19.227
17.936
29.468
#
#
#
†
†
#
O
O
O
O
C4H8S Tetrahydrothiophen
S
1,4-C4H8S2 Dithiane
S
S
1,3-C4H8S2 Dithiane
S
S
C4H9,n-Butyl Radical
i-C4H9 iso-Butyl Radical
s-C4H9 sec-Butyl Radical
C4H9,t-Butyl Radical
C4H9N PYROLIDINE
#†
#
#
#
#
H
N
419
-34.746
±8.
-55.898
±8.
-78.159
±8.
-98.46 ±0.38d
-106.37 ±0.40d
-927.62 ±40
Table 6 (continued)
Compound
C4H10N2 1,4-Piperazine
86.13568
fH298
kJ/mol
32.058
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
70.65
±8.
96.860 301.189 16.633 #
74.1216
74.1216
74.1216
-275.981
-295.332
-283.8
-245.721
-265.572
-253.94
±8.
±8.
±0.9
108.033
111.128
112.354
361.703
354.836
351.556
20.634 #
21.134 #
21.035 #
74.1216
74.1216
90.1210
90.1210
90.1210
106.1204
-315.415
-254.948
-202.602
-241.090
-432.048
-551.380
-285.128
±8.
-224.468
±8.
-171.262
±8.
-210.203
±8.
-398.417
±8.
-520.119 ±0.79
113.481
105.009
122.721
136.548
115.030
145.521
335.551
345.73
373.151
354.252
355.844
430.402
20.607
20.415
23.895
24.347
21.604
28.314
#
#
#
#
#
#
122.1198
90.1882
90.1882
75.12899
75.12899
88.22358
88.22303
88.22358
88.22303
178.84808
178.84808
76.0574
256.09312
-762.3
-85.923
-81.659
497.984
468.077
-219.338
706.536
-106.002
821.349
-20.502
56.484
529.2
724.250
-720.7 ±15.
-57.029
±8.
-52.591
±8.
519.411
±8.
489.895
±8.
-186.489
±8.
728.016
±8.
-72.329
±8.
845.565
±8.
+11.004 ±4.2
90.910 ±4.2
524.285 ±0.8
753.182 ±12.5
137.197
110.052
107.788
110.480
112.598
145.448
156.214
129.567
140.733
145.919
143.567
86.326
201.048
394.501
372.824
357.377
331.076
326.792
344.106
361.645
372.008
386.178
410.093
410.046
290.524
493.698
22.346
22.073
21.899
21.307
20.917
25.391
27.654
24.567
26.787
29.840
26.920
17.799
36.003
#
#
#
#
#
#
#
#
#
#
#
†
#
1061.180
-11.066
-928.15
±8.
±4.4
±8.
±75.
271.677
449.904
393.515
555.108
281.338
266.537
349.650
369.252
413.831
424.849
295.196
306.147
286.057
278.711
16.192 †#
32.177 #
26.906 #
853.43
690.360
-5.59
158.05
462.152
173.336
75.507
165.769
144.089
229.036
80.114
82.497
111.295
118.207
131.611
182.182
87.499
93.241
73.211
71.775
Mol. Wgt.
HN
NH
C4H10O-N 1-BUTANOL
C4H10O-S 2-BUTANOL
C4H10O Isobutanol
CH3CH(CH3)CH2OH
C4H10O-T 2-Methyl-2-propanol
C4H10O DiEthylEther
C4H10O2 nButyl Hydroperoxide
C4H10O2 t Butyl Hydropeoxide
C4H10O2 1,4-butanediol
C4H10O3 DiEthyleneGlycol
(HOCH2CH2)2O
C4H10O4 C4(OH)4 1,2,3,4-Erythritol
C4H10S 1-Butanethiol C4H9SH
C4H10S DiEthylSulfide (C2H5)2S
C4H11O+ (CH3)2O-C2H5+
C4H11O+ (C2H5)2OH+
C4H12Si Si(CH3)4
C4H12Si+ Si(CH3)4+ cation
C4H12Si (C2H5)2SiH2
C4H12Si+ (C2H5)2SiH2+ cation
C4H12Sn Sn(CH3)4
C4H12Sn H2Sn(C2H5)2
C4N2 Carbon Subnitrid
C4N8O6 DDFP
C5 1+g singlet
C5Cl6 PerChloroCycloPentadiene
C5F6 PerFluoroCycloPentadiene
C5F12 FC 4-1-12
C5H
C5H2 *HC=C=C=C=CH* <~>
C5H2CL2O CY
C5H2CL3 CY
C5H2Cl3 ClHC=C=CCl-CCl=CH*
C5H2N3O6* 1,3,4-triNitroCPD-1-yl
C5H3 1,3-Pentadiyne-5-yl Rad.
C5H3 HCC-CH*CCH
<~>
C5H3 Cyclopentatriene-yl
C5H3+ Cyclopentatriene-yl
Cation
60.05350 1072.112
272.76970
-11.7
174.04392 -932.986
288.03584 -2543.311
61.06144
860.0
62.06938
691.299
148.97418
-12.17
168.42748
152.68
168.42748
460.064
200.08600
155.034
63.07882
602.58
63.07882
564.61
63.07732
718.836
63.07677
1523.7
420
722.751
1521.6
±8.
±8.
±8.
±8.
±43
±8.
±8.
16.071
14.674
20.679
22.140
25.420
34.479
#
#
#
#
#
#
14.055 #
13.832 #
Table 6 (continued)
169.43542
185.43482
77.08406
64.08526
64.08526
64.08526
64.08526
64.08526
78.09200
78.09200
120.11222
fH298
kJ/mol
61.513
-104.72
422.613
411.835
451.964
444.466
433.354
548.644
502.942
405.241
272.270
80.08466
55.229
66.855
96.08556
96.08406
-105.834
-159.046
-95.030
-145.549
65.09320
65.09265
65.09320
65.09265
65.09375
79.09994
79.09994
384.93
1149.0
263.269
1110.8
82.279
238.944
140.080
111.09874
111.09874
C4H4NCOOH Pyrrole-2carboxylic
acid
Compound
C5H3Cl3 1,2,4-triCl-2,4-CYdiene
C5H3Cl3O CY
C5H3N HCC-CH=CH-CN
C5H4 1,3-Pentadiyne
C5H4 1,4-Pentadiyne
C5H4 Pentane-Tetraene
H4C5 1,2-Pentadiene-4-yne
C5H4 1,2,4-Cyclo-Pentatriene.
C5H4N *CH=CH-CH=CH-CN
C5H4N meta-Pyridyl Radical
C5H4N4 Purine
C5H4O Cyclopentadiene-1-
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
71.033
±8.
118.468 372.260 22.221
-93.65
±8.
139.671 397.902 25.014
426.538
±8.
93.766 318.598 18.380
416.818
±8.
86.669 291.342 17.221
434.773
±8.
89.940 305.243 17.191
449.702
±8.
86.132 287.480 16.968
438.929
±8.
86.751 301.509 16.628
557.214
±8.
72.062 279.037 13.633
510.320
±8.
97.601 341.652 19.160
418.146
±8.
74.123 292.227 13.634
294.347
±8.
103.224 322.840 17.466
#
#
#
#
#
#
#
#
#
#
#
80.941
289.952
14.958 #
±8
±8
101.982
92.927
361.789
328.843
20.080 #
17.386 #
394.23
1152.2
275.251
1116.8
101.750
250.471
156.922
±8.
±8.
±8.
±8.
±8.
±8.
±8.
92.828
86.823
77.582
75.683
73.238
99.632
77.746
310.776
303.652
300.406
278.266
270.985
336.825
282.762
17.130
16.970
15.155
14.260
13.164
19.246
13.931
126.696
-256.0
146.916
-237.615
±8.
±1.5
104.237
112.143
345.720
342.156
19.233 #
21.068 #
111.09874
-288.106
-268.607
±8.
112.219
350.843
19.954 #
C5H4N2O4 Orotic acid
156.09634
-538.9
-516.29
145.213
403.337
25.627 #
C5H5N5 (cr) Adenine Cy
135.12690
96.9
one<!>
C5H4O2 3 Ketene
C5H4O2 Furfural
C5H5 1-Pentyne-3-ene-5-yl
C5H5+ 1-Pentyne-3-ene-5-yl cation
C5H5 CY Cyclopentadienyl Rad. <!>
C5H5+ CY Cyclopentadienyl Cation
C5H5- Cyclopentadienyl anion
C5H5N CH2=CH-CH=CH-CN
N
C5H5N PYRIDINE
C5H5NO2 NitroCycloPentadiene
C4H2O2N-CH3 Me-Maleinimide
421
±1.3
#
#
#
#
#
#
#
X
Table 6 (continued)
Compound
C5H5N5 Adenine Cy
135.12690
fH298
kJ/mol
225.7
151.1263
151.1263
-183.8
16.0
81.0926
81.0926
81.0926
81.0926
97.0920
97.0935
66.10114
66.10114
66.10114
66.10114
94.11462
126.11342
126.11342
67.036
38.689
72.73
217.045
-31.45
-84.144
252.617
253.927
252.638
101.36
118.085
-462.8
-338.0
82.10054
82.10204
82.10204
82.10204
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
252.165 ±3.5
129.836 351.909 21.648 #
NH2
N
N
N
H
N
C5H5N5O (cr) Guanine solid
C5H5N5O Guanine Cy
145.812
371.844
X
24.160 #
94.197
85.879
90.479
86.614
108.258
105.719
93.762
92.856
91.771
75.046
99.446
309.874
305.606
307.805
305.729
388.719
371.864
316.977
305.417
305.044
274.062
312.178
16.080
15.515
15.525
15.541
22.613
21.255
18.163
17.456
17.047
13.513
16.584
-312.889
±8.
±8.
±8.
±8.
±8.
±8.
±8.
±8.
±8.
±2.5
±8.
±1.1
±2.5
132.918
359.633
#
#
#
#
#
#
#
#
#
#†
#
X
22.921 #
-1.233
-37.851
-41.40
-10.399
+17.008
-18.509
-22.023
+9.191
±8.
±8.
±8.
±8.
90.122
91.400
91.363
84.819
313.406
308.264
308.113
294.627
16.771
15.671
15.633
15.422
82.10054
82.10054
98.09994
-78.316
-67.132
-216.99
-59.522
-48.348
-196.899
±8.
±8.
±8.
89.800
89.932
101.795
303.662
303.871
353.865
16.217 #
16.228 #
19.260 #
67.10908
67.10908
67.10908
67.10908
102.56178
138.01448
97.11522
205.455
205.455
172.623
223.94
58.091
110.926
-96.843
222.877
223.086
192.745
243.815
76.235
128.756
-78.691
±8.
±8.
±8.
±8.
±8
±8
±8
92.672
93.92
79.939
80.499
110.072
132.403
127.323
325.606
323.195
296.325
290.579
374.067
444.862
391.075
17.484
17.275
14.785
15.031
21.352
26.257
25.429
44.29
±0.9
±5.
O
H
N
HN
N
H2N
N
C5H4OH CYCLO RAD
<!>
1,3C5H5O CY RADICAL
<!>
1,4C5H5O CY RADICAL
<!>
2,4-c-C5H5O CY RADICAL <!>
C5H5O2 2-pentenedialdehyde R
C5H5O2 2-pentenedialdehyde R
C5H6 1,2,4-Pentatriene
C5H6 1-ene-3-yne
C5H6 3-enE-1-yne
C5H6 CYCLOPENTADIENE<!>
C5H6N2 2-AMINOPYRIDINE
C5H6N2O2 (cr) Thymine CY
C5H6N2O2 Thymine CY
81.734
53.951
87.983
232.282
-18.540
-70.281
265.126
267.143
266.263
118.519
140.843
O
CH3
HN
O
N
H
2,4-C5H5OH
<!>
1,3-C5H5OH
1,4 C5H5OH
C5H6O Pyran 2,5-Hexadiene 1oxo
#
#
#
#
O
2-C5H6O 2-Methyl-Furan
3-C5H6O 3-Methyl-Furan
2-C5H6O2 Furfuryl Alcohol
C5H7 1,3-Pentadien-5-yl
C5H7 1,4-Pentadien-3-yl
C5H7 Cy 1-penten-3-yl
C5H7 Cy 1-penten-4-yl
C5H7CL
C5H7CL2
C5H7NO
422
#
#
#
#
#
#
#
Table 6 (continued)
Compound
C5H7O 1-Cypenten-4-oxy Rad.
C5H8 1-Pentyne HCCC3H7
C5H8 2-Pentyne CH3-CC-C2H5
C5H8 1,3-Pentadiene
C5H8 ISOPRENE
C5H8 Cyclopentene
C5H8CL CH2ClCH=CHCH2CH2
PETN Solid
C5H8N4O12 PETN
C5H8O Cyclopentanone
83.10848
68.11702
68.11702
68.11702
68.11702
68.11702
103.56972
316.13828
316.13828
fH298
kJ/mol
95.04
143.930
128.449
84.157
76.161
37.317
158.197
-538.481
-387.02
84.11642
-197.401
-171.29
±5.4
97.436
309.296
17.366 #
84.11642
100.11582
100.11582
100.11582
132.11462
-126.579
-381.836
-345.967
-336.1
-837.
-99.582
-357.745
-322.161
-311.185
-808.663
±8.
±8.
±8.
±0.6
±8.
96.604
119.232
123.680
121.552
144.164
315.064
401.920
382.548
357.622
461.348
16.583
23.709
24.015
22.905
28.163
132.11462
-739.
-711.462 ±0.45
148.617
441.618
28.962 #
69.12496
69.12496
69.12496
69.12496
69.12496
69.12496
83.13170
147.12930
111.131
174.615
116.700
102.479
219.091
180.356
273.454
-817.972
138.404
196.937
140.617
126.521
243.190
204.114
305.013
-781.560
±8.
±8.
±8.
±8.
±8.
±8.
±8.
±4.2
88.092
110.968
106.281
106.535
105.817
108.450
96.132
163.203
298.784
357.785
347.013
329.883
335.407
348.534
302.073
445.395
16.101
21.052
19.457
19.332
19.275
19.616
16.150
28.658
#
#
#
#
#
#
#
#
101.12376
101.12376
101.12376
101.12376
101.12376
70.13290
70.13290
70.1329
70.1329
70.1329
70.1344
-255.550
-258.818
-281.328
-260.388
-251.668
-21.28
-30.334
-33.924
-39.794
-28.142
-77.1
-226.845
-232.358
-255.386
-235.465
-225.677
+4.648
-4.166
-6.613
-13.205
-1.589
-44.515
±8.
±8.
±8.
±8.
±8.
125.431
131.482
129.041
132.918
131.262
108.200
100.615
102.803
103.667
105.189
82.760
377.951
414.869
424.815
426.760
419.488
347.110
370.097
342.019
337.685
349.980
293.007
23.349
25.594
26.112
26.931
26.064
21.680
21.440
20.297
21.019
21.056
15.023
#
#
#
#
#
†
#
#
#
#
†
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
117.53
±8.
92.705 317.690 16.752
164.061 ±3.5
101.499 327.860 19.009
±3.5
99.590 332.600
105.770
±8.
94.718 318.284 17.527
97.942
±8.
95.762 316.277 17.359
61.798
±8.
79.055 284.799 14.659
179.288
±8.
119.551 399.520 22.640
±0.84 353.757
-332.00
294.758 614.706 53.542
#
#
#
#
#
#†
#
O
C5H8O 1,5-Cyclopenten-2-ol
C5H8O2 trans Pentenoic acid
C5H8O2 Methyl Butenoate
C5H8O2 MethylMetacrylate
C5H8O4 Glutaric acid
HOOC(CH2)3COOH
C5H8O4 DiMethyl Malonate
CH3OOCCH2COOCH3
C5H9 CY
C5H9 2-PENTEN-5-YL
H9C5 2-PENTEN-1-YL
C5H9 3M-1-BUTEN3YL
C5H9 3M-1-BUTEN1YL
C5H9 3M-1-BUTEN4YL
C5H9N 1,2,3,6-TetraHydroPyridine
C5H9NO4 Glutamic acid (amino)
HO-C(O)CH2CH2CH(NH2)COOH
C5H9O2 C4H9C(O)O* Valeryl
C5H9O2 C3H7C(O)OCH2* C0
C5H9O2 C2H5CH*C(O)OCH3C2
C5H9O2 CH3CH*CH2C(O)OCH3
C5H9O2 CH2*C2H4C(O)OCH3
C5H10 1-PENTENE
<!>
C5H10 2-PENTENE
C5H10 2MB-1ene
C5H10 2MB-2ene
C5H10 2MB-3ene
C5H10 Cyclopentane
423
±8.
±8.
±8.
±8.
#
#
#
#
#
Table 6 (continued)
146.14458
fH298
kJ/mol
-631.784
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-591.312 ±4.2
166.908 428.267 28.826 #
86.1323
-240.065
-206.835
86.1338
-224.283
86.1323
102.13170
102.13170
102.13170
102.13170
102.13170
102.13170
102.13170
118.13110
71.14084
71.14084
71.14084
71.14084
71.14234
85.14758
-225.062
-477.018
-507.1
-497.1
-457.884
-505.59
-470.696
-98.738
-633.022
60.98
49.275
43.72
55.7
34.392
-19.405
-191.55
-444.615
-474.456
-426.201
C5H11NO2 Nitropentane
C5H11N3O5 Propyl-NENA
C5H11O+ PentahydroPyran protonate
C5H12 PENTANE
<!>
I-C5H12 Isopentane
CH3C(CH3)2CH3 Neopentane
C5H12O 1-Pentanol C5H11OH
C5H12O 2-Pentanol
C3H7CH(OH)CH3
C5H12O 3-Pentanol
C2H5CH(OH)C2H5
C5H12O 3Methyl-Butane-1ol
C5H12O liquid MTBE
C5H12O Me-Tertiary Butyl Ether
117.14788
193.15806
87.13969
72.14878
72.14878
72.14878
88.14818
88.14818
C5H12O2 Pentyl-Hydroperoxide
C5H13O+ (C2H5)2OCH3+
C5N4 C(CN)4
Compound
C5H10N2O3 Glutamine (amino )
NH2-C(O)CH2CH2CH(NH2)COOH
C5H10O Cyclopentanol
C5H9OH
C5H10O PentaHydroPYRAN
Mol. Wgt.
±8.
103.848
334.704
18.718 #
96.359
301.959
16.710 #
±8.
±8.
±0.8
99.564
122.513
132.901
323.289
393.642
363.332
125.394
373.612
-439.503
-67.50
-599.375
90.91
78.74
74.74
85.76
±8.
±0.5
±8.
±8.
±8.
±8.
±8.
±8.
±8.
18.945
±8.
124.994
132.168
145.838
114.642
111.887
110.092
121.015
118.84
100.922
402.675
394.552
406.386
367.172
363.372
359.010
344.879
333.423
311.365
18.437 #
23.886 #
23.644 #
X
24.605 #
X
25.096 #
25.058 #
26.980 #
21.905 #†
22.373 #
20.817 #†
21.796 #
-164.431
-154.808
510.967
-152.310
-153.70
-168.255
-297.286
-316.687
-123.37
-107.012
541.740
-119.278
-119.63
-133.6
-260.514
-280.593
±2.1
±8.
±8.
±8.
137.100
199.630
106.110
111.524
118.870
121.911
117.224
129.850
390.905
538.994
317.820
370.463
343.740
309.573
403.533
385.251
23.792
38.751
18.644
23.044
22.008
21.421
23.645
24.322
88.14818
-316.478
-280.395
±8.
129.872
380.443
24.334 #
88.14818
88.14818
88.14818
-298.424
-313.6
-288.273
-261.452
-293.85
-252.38
±8.
124.316
187.510
136.565
381.340
265.650
358.566
23.444 #
104.14758
89.15557
116.08046
-223.948
455.722
672.80
133.051
132.290
125.161
413.969
349.675
358.507
26.358 #
23.773 #
24.761 #
-189.04 ±0.84
O
C5H10O 2-MethylTetraHydroFuran
C5H10O2 Pentanoic (Valeric) acid
C5H10O2 (CH3)3CCOOH (Pivalic)
C5H10O2(liq) MethylButyrate
C5H10O2
MethylButyrate
C5H10O2(liq) Ethyl Propionate
C5H10O2
Ethyl Propionate
C5H10O2 CH2=CH(CH2)3OOH
C5H10O3 (C2H5)2CO3 EtCarbonate
N-C5H11 n-pentyl
<!>
S-C5H11 2-pentyl
T-C5H11 1,1-dimethyl-1-propyl
C5H11 1,1-dimethyl-3-propyl
C5H11 neopentyl
C5H11N cyclo Piperidine
17.827 #
N
H
TetraCyanoMethane
424
±8
±8
±8.
-185.53
±8.
484.205
±8.
670.647 ±9.20
#
#
†
†
†
#
#
24.522 #
Table 6 (continued)
C5O5Fe Fe(CO)5
C6 linear singlet 1A'1
C6 linear triplet 3-g
C6CL6 Hexachlorobenzene
C6D5 Deuterated phenyl radical
C6D6 Deuterated Benzene
C6F6 Hexafluorobenzene
C6F14 FC 51-14
Perfluorohexane
C6H
<!>
C6HCL5 Pentachlorobenzen
C6H2
<!>
C6H2CL4 1,2,3,4-Chlorobenzen
See
72.0642
72.0642
284.78040
82.13651
84.14881
186.05462
338.04364
fH298
kJ/mol
Fe(CO)5
1227.3
1283.971
-42.526
315.700
58.157
-968.621
-2949.201
73.07394
250.33564
74.08008
215.89088
C6H2CL4 1,2,3,5-Chlorobenzen
Compound
Mol. Wgt.
 fH 0
kJ/mol
±
Cp298
kJ/mol J/mol/K
1216.08
1272.522
-41.486
327.525
73.86
-964.118
±8.
±8.
±8.
1000.
-36.3
700.82
-13.071
991.8
-32.42
696.0
-6.239
±75.
±3.7
215.89088
-18.464
196.43758
196.43758
228.43638
228.43638
212.0967
228.09610
75.08802
75.08802
75.08802
181.44612
181.44612
197.44552
197.44552
213.44492
201.99249
167.09910
213.10464
213.10464
229.10404
S298
J/mol/K
H298-H0
kJ/mol
83.768
84.585
174.696
94.997
100.398
157.939
269.551
288.457
300.600
438.879
300.504
282.629
384.462
629.592
17.550
17.770
32.824
15.919
16.325
28.293
#
#
#
†
†
#
±8.
95.617
159.291
103.919
143.507
305.418
427.213
298.911
398.859
18.757
29.625
19.608
26.320
#
#
†
#
-11.75
±8.
143.922
400.437
26.439 #
-27.48
101.51
131.42
28.95
286.6
1.25
725.07
725.087
728.911
6.711
-20.29
107.37
142.99
40.414
306.15
22.234
724.08
724.100
733.879
14.425
±8.4
±8.4
140.508
144.581
174.462
171.330
179.914
195.625
102.068
102.051
75.851
127.690
398.583
410.077
429.942
433.035
494.073
517.227
328.116
328.107
293.013
370.460
25.714 #
25.386 #
#
#
34.280 #
37.195 #
20.012 #
20.011 #
14.055 #
23.081 #
-4.314
-189.07
-19.83
-277.25
534.715
302.08
-37.24
62.342
-217.9
5.25
-176.92
+17.3
-263.99
542.244
320.25
±8.
±8.4
128.171
142.427
39.200
162.216
96.910
145.001
364.132
397.903
109.923
420.242
340.309
435.239
23.231 #
24.984 #
205.633
485.335
±8.
Cl
Cl
Cl
Cl
C6H2CL3O Trichlorophenoxy ra
C6H2CL3O Trichlorophenol Rad
C6H2CL3O3 Peroxybiciclo Rad.
C6H2CL3O3 Peroxybicyclo Rad
C6H2(NO2)3 TriNitroPhenyl Rad.
C6H2(NO2)3O* TriNitroPhenol Rad
C6H3 H2C=C=C=C=C=CH* <I>
C6H3 H2C=C*-C≡C-C≡CH <!>
C6H3 Cy o-Benzyne-o-yl Rad.
C6H3Cl3 1,2,3-trichlorobenzen
±8.
±8.
±8.
±8.
±8.
Cl
Cl
Cl
C6H3Cl3 1,3,5-trichlorobenzen
C6H3CL3O Trichlorophenol
C6H3CL3O linear
C6H3CL3O2 CY
C6H3I o-Iodo-Benzyne
C6H3(NO2)2 DiNitroBenzene rad
C6H3(NO2)3 (sol) Trinitrobenzene
C6H3(NO2)3 Trinitrobenzene
C6H2(NO2)3OH (sol)
Trinitrophenol
425
±12.
±1.25
82.617
±2.
28.219 #
18.093 #
26.890 #
X
37.794
X
Table 6 (continued)
C6H2(NO2)3OH Trinitrophenol
229.10404
fH298
kJ/mol
-139.5
1,2-C6H4 o-BENZYNE
<!>
1,2-C6H4+ o-BENZYNE cation
1,2-C6H4- c o-BENZYNE anion
1,3-C6H4 m-BENZYNE
1,4-C6H4 p-BENZYNE
C6H4 TRANS
C6H4 CIS
C6H4 HEXAPENTAENE
C6H4 TRIENE-5YNE
C6H4CL –ortho Radical
C6H4CL –metha Radical
C6H4CL –para Radical
C6H4CLO o-Chlorophenoxy Rad
C6H4CLO CyHexadiene Rad
C6H4CL2 o-Dichlorobenzen
C6H4CL2 m-Dichlorobenzen
C6H4CL2 p-Dichlorobenzen
C6H4CL2O Z 2,4Dichlorophenol
C6H4CL2O E 2,4Dichlorophenol
o-C6H4I Radical
o-C6H4I2
m-C6H4I2
p-C6H4I2
C6H4NO2 m-NitroBenzene Radic
76.09596
76.0954
76.09651
76.09596
76.09596
76.09596
76.09596
76.09596
76.09596
111.55046
111.55046
111.55046
127.54806
127.54806
147.00136
147.00136
147.00136
163.00076
163.00076
203.00043
329.90490
329.90490
329.90490
122.10150
461.135
1397.5d
400.5d
523.690
574.254
523.105
524.218
568.263
559.706
303.173
297.02
298.86
32.895
225.91
28.464
22.656
23.104
-158.009
-145.398
427.186
248.95
243.509
242.700
317.566
470.128 ±1.4d
1398.8d ±3.0d
409.3d ±1.4
532.497
±8.
582.364
±8.
527.104
±8.
528.632
±8.
572.160
±8.
563.792
±8.
? ±28.9
±28.0
±28.0
45.773
±8.
237.50
40.970
±8.
35.089
±8.
35.493
±8.
-143.023
±8.
-131.202
±8.
439.032
263.625 ±5.9
257.766
257.177
333.558
78.406
283.240
106.701
80.202
85.476
102.894
101.969
99.977
101.909
100.842
101.165
101.264
109.172
112.226
111.879
112.361
112.303
128.644
130.914
97.752
113.052
118.125
114.640
111.539
337.133
283.810
282.239
317.187
317.563
309.859
325.109
329.678
329.135
329.476
338.965
359.349
347.871
343.476
337.735
364.031
368.913
346.415
386.892
384.828
365.746
362.811
14.265 #
X
20.795 #
14.451 #
15.147 #
19.328 #
18.843 #
19.359 #
19.172 #
?? #
#
#
19.310 #
20.599 #
19.933 #
20.005
20.049 #
21.793 #
22.582 #
18.010 #
21.778 #
22.196 #
21.976 #
20.280 #
C6H4N2O4 1,3 DiNitroBenzene
C6H4N4O2 4-Nitro-PhenylAzide
C6H4O2 O=C6H4=O
C6H5 CHAIN
C6H5 PHENYL RAD
<!>
C6H5+ singlet c
C6H5+ triplet c Phenylium
C6H5- Phenided
C6H5 FULVENYL RAD-6-yl
168.10704
164.12172
108.09476
77.10390
77.10390
77.10335
77.10335
77.10445
77.10390
51.88
389.7
-121.478
587.852
337.3
1143.03d
1245.87
225.8
467.315
74.25
410.723 ±5.2
-108.376
±8
595.974
351.2 ±0.6
1148.98 ±0.93
1257.9d ±3.18
244.89d ±0.44d
479.324
±8.
146.438
157.694
105.614
104.083
77.04
87.110
87.110
79.653
87.147
418.208
420.170
320.469
332.937
286.135
289.117
298.252
283.88
297.813
26.915
28.254
18.835
19.369
13.591
15.313
15.313
14.172
15.482
Compound
Mol. Wgt.
426
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-111.75
192.811 495.618 34.611 #
#
#
#
#
#
#
#
#
#
Table 6 (continued)
77.10390
fH298
kJ/mol
490.365
C6H5Br (liq) Bromobenzenb
C6H5Br Bromobenzen
C6H5Br+
"
cation
C6H5BrO 2-Bromophenol (Z) cis
C6H5BrO 2-Bromophenol-(E)
trans
C6H5Cl (liq) Chlorobenzenb
C6H5CL Chlorobenzen
C6H5CL+
C6H5CLO o-Chlorophenol (Z)
C6H5CLO o-Chlorophenol (E)
C6H5CLO 2,4-Cy-hexadiene..
C6H5CLO 2,5 Cy-hexadiene…
C6H5F (liq) Fluorobenzenb
C6H5F
Fluorobenzen
C6H5F+
C6H5I (liq) Iodobenzenb
C6H5I
Iodobenzen
C6H5I+
C6H5NO NITROSOBENZENE
C6H5NO2 NITRO-BENZENE
C6H5NO2 Picolinic acid
157.0079
157.0079
157.00735
173.00730
173.00730
60.2
104.9
979.957
-63.72
-70.208
±1.3
127.219 ±1.3.
995.518 ±1.22
-39.09
±8.
-46.085
±8.
112.55660
112.55660
112.55605
128.55600
128.55600
128.55600
128.55600
96.10230
96.10230
96.10175
204.00837
204.00837
204.00782
107.11004
123.11124
123.10944
11.3
52.287
934.796
-130.942
-117.834
-35.75
-55.87
-150.02d
-115.4
779.76
113.1
161.9
1013.62
198.075
68.534
-233.522
±0.6
67.461 ±0.61d
943.089 ±0.6
-113.250
±8.
-100.912
±8.
-19.81
-39.79
-152.44d ±1.0
-99.459 ±1.0
788.600 ±1.0
113.0d ±1.1
177.906 ±1.1
1023.108
±1.
215.586 ±1.5d
88.137 ±0.67
-213.579
±8.
C6H5O PHENOXY RAD
<!>
C6H5O Cy-hexadiene-1one-2yl
C6H5OO PEROXYPHENYL rad
C6H6(L)
<~>
93.10330
93.10330
109.10270
78.11184
78.11184
61.56
246.58
141.612
49.08
82.88
76.511
±8.
260.42
158.975
±8.
50.695 ±0.26d
100.41 ±0.26d
78.11129
78.11184
982.3
193.12
216.296
991.762
211.6d
232.556
C6H6 BENZVALENE
78.11364
384.9
C6H6 1,5-Hexadiyine
78.11364
417.166
Compound
Mol. Wgt.
C6H5 FULVENYL RAD-2-yl
C6H6 BENZENE
C6H6+ Benzene Cation
C6H6- c
C6H6 FULVENE
 fH 0
kJ/mol
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±51.5
93.077 307.123
#
X
#
#
#
#
97.507
99.933
113.188
115.810
324.774
334.250
350.929
356.656
17.433
17.993
19.051
19.968
96.152
98.934
112.581
114.787
113.199
113.969
313.366
323.710
341.454
346.205
352.445
346.868
16.908
17.591
18.729
19.500
20.480
20.347
92.385
96.139
301.688
313.190
15.963
16.866
99.983
101.121
106.354
120.38
116.419
335.00
343.093
332.852
348.800
361.590
18.083
18.404
18.655
20.903
20.564 #
98.411
98.386
108.706
135.95
81.934
312.038
332.759
339.197
173.44
269.158
16.880 #
#
18.808 #
30.110 †
14.195 †
±0.3
±3.7d
±8.
89.226
286.476
87.862
292.468
16.065 #
X
15.465 #
403
±8.3
80.825
284.701
#
428.062
±8.
111.036
336.936
20.829 #
X
#
#
#
#
#
#
X
#
#
X
#
#
#
<!>
CH2
427
Table 6 (continued)
Compound
Mol. Wgt.
fH298
kJ/mol
369.100
392.363
396.229
416.397
339.937
343.49
346.469
251.7
65.7
C6H6 2,4-Hexadiyne
C6H6 1,3-Hexadiyne
C6H6 1,2,4,5 Hexatetraene
C6H6 1,2-Hexadiene-5-yne
C6H6 3,4-Dimethylene1Cyclobutene
C6H6 1,3-Hexadiene-5-yne
C6H6 1,3-Butadiene-2-Ethynyl
C6H6N C6H5NH*
C6H6N2O2 o-NitroAminoBenzen
78.11364
78.11364
78.11364
78.11184
78.11184
78.11184
78.11184
92.11858
138.12412
C6H6N2O2 m-NitroAminoBenzen
C6H6N2O2 p-NitroAminoBenzen
C6H6N6O6 TATB
C6H5OH PHENOL
138.12412
62.5
138.12412
55.2
(see Burcat.thr)
94.11124
-83.847
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
379.830
±8.
103.026 335.627 20.995
404.299
±8.
107.021 328.174 19.790
407.942
±8.
102.421 343.852 20.012
427.901
±8.
107.981
336.97 20.274
354.726
±8.
94.844 302.603 16.936
355.494
±8.
105.878 328.006 19.721
358.998
±8.
105.579 325.120 19.196
271.7 ±3.3
96.841 314.851 16.026
90.5 ±12.5 139.679 384.205 24.329
#
#
#
#
#
#
#
#
#
80.276
±1.8
±1.8
141.058
372.585
-58.807
±8.
103.338
315.238
X
24.000 #
X
17.497 †
99.188
322.935
#
OH
<!>
C6H6O 2,4-Cyclohexadiene1one
94.11124
-21.63
-3.31
94.11124
89.697
108.34
±8.
99.660
309.917
17.422 #
110.11064
-279.190
-256.039
±8.
119.511
331.200
20.254 #
110.11064
79.11978
79.11978
-2.678
210.823
210.815
18.039
231.054
231.047
±8.
±8
±8
114.440
90.246
90.235
350.539
300.298
306.054
19.688 #
15.729 #
15.727 #
79.11923
79.11798
79.11798
79.11798
79.11978
79.11923
93.12652
878.1
431.387
334.092
247.316
221.007
1004.62
31.50
892.2
±8
446.410
±8.
351.954 ±6.3
265.583 ±19.2
238.873
±8
1016.33
±8.
37.774
88.167
110.758
100.095
101.756
103.103
96.768
191.92
293.690
363.629
326.062
321.686
314.389
313.124
191.060
15.618
20.937
18.098
17.693
18.094
18.055
34.020
O
C6H6O Oxepin (cy)
O
1,2-C6H4(OH)2 Catechol
:
C6H5OOH Hydroperoxyphenyl
C6H7 1,4 CYCLO Radical <~>
C6H7 1,3 Cy 5-Radical
C6H7+ 1,4 Cy Radical cation
C6H7 1,3,5-Hexatriene-6-yl
C6H7-1 CY C5H5-1-CH2*
C6H7-3 CY C5H5-3-CH2*
C6H7-1 CY C5H4-1-*-CH3
C6H7-1+ CY C5H4-1-*-CH3+
C6H5NH2(L) aniline
428
#
#
#
#
#
#
†
Table 6 (continued)
93.12652
fH298
kJ/mol
87.04
93.12652
264.625
287.673
±8.
101.258
313.415
17.246 #
297.1334
-653.541
-600.965
±35.
267.384
449.830
44.129
276.59
272.25
80.12772
-710.025
-703.44
230.12
C6H8 CY 1,3-C5H5-5-CH3
C6H8 CY 1,3-C5H5-3-CH3
C6H8 1,3,5-HEXATRIENE
H8C6 (1,3-CYCLO)
C6H8 (1,4-CYCLO)
C6H8O 2,5-DiMethylFuran (Cy)
C6H8O 3,4-DiMethylFuran (Cy)
C6H8O3 2,5-DiHydroxyMetylFuran
C6H8O7 (S) Citric acid solid
80.12772
80.12772
80.12772
80.12772
80.12772
96.12712
96.12712
128.12592
192.12352
112.257
99.303
152.214
109.2
109.45
-121.821
-101.383
-401.664
-1544.0
C6H8O7 Citric acid gas
anhydrous
C6H8O9N2CelluloseDinitrate11.11%N
C6H9 1,3 hexadiene 5-yl Rad.
1,3-C6H9 hexadiene 6-yl Rad.
C6H9 Cyclohexenyl-3
C6H9 CY 1- C5H6-4-CH3-4-yl
C6H9 CY 1- C5H7-4-CH2*
C6H9 CY 1-C5H7-3-CH2*
C6H9 CY 1-C5H7-1-CH2*
C6H9I CY 1-C6H9-3-I
C6H9N3 1,3,5-TriAminoBenzen
C6H10 1-Hexyne
C6H10 2-Hexyne
C6H10 1,3-HEXADIENE
192.12352
-1399.13
-1363.9
252.1358
-753.58
81.13566
173.49
81.13566
265.533
81.13566
131.47
81.13566
188.468
81.13566
215.731
81.13566
212.464
81.13566
124.89
208.04013
69.0
(see Burcat.thr)
82.14360
122.3
82.14360
107.7
82.14360
58.513
-705.189
195.692
286.651
159.011
214.322
241.534
237.965
±25.
±8.
±8.
±8.
±8.
±8.
±8.
99.331
±21.
147.990
±1.2
±2.4
±8.
Compound
C6H7N ANILINE
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
109.957 ±0.88 104.537 311.678 17.377 #
NH2
C6H7N 1H-Azepine
C6H7O11N3 Cellulose Trinitrate
14.13% N
C6H7.45O10.1N2.55 NitroStarch
C6H7.55O5(NO2)2.45
C6H8 DIHYDROBENZVALENE
429
X
X
#
255.3
±8.3
89.425
293.780
135.267
121.918
±8.
±8.
95.574
97.546
107.911
94.168
94.057
115.388
115.635
141.880
310.854
312.884
330.388
240.221
238.906
334.641
328.674
420.474
17.183 #
17.579 #
188.936
528.690
35.351 #
241.715
119.775
120.582
97.860
103.489
106.551
104.037
94.663
116.001
412.465
370.613
389.084
313.685
321.009
323.588
333.573
323.377
360.644
39.533
22.225
22.990
16.886
18.574
18.625
18.926
123.932
374.180
120.575
372.675
133.14
±8.
133.08
±8.
-97.623
±8.
-77.163
±8.
-374.536 ±12.5
±4.6
84.568
16.256
16.559
20.335
20.313
26.086
#
#
#
#
#
X
#
#
#
#
#
#
20.731 #
X
22.971 #
X
22.606 #
Table 6 (continued)
82.14360
fH298
kJ/mol
-4.6
82.14360
162.14060
162.14060
162.14060
8.46
-2812.40
-974.1
-960.45
-903.837
-933.944
±8.
±1.7
±2.1
±20.
162.14060
162.14060
-959.1
-824.5
-779.7
±2.1
±2.7
86.15334
86.15334
83.15334
83.15334
83.15334
83.15154
83.15334
83.15154
83.15154
83.15154
83.15154
83.15099
83.15209
210.05601
115.15034
84.15948
84.15948
84.15948
84.15948
84.15948
84.15948
84.15948
84.15948
100.15888
100.15888
162.502
153.862
154.540
95.340
149.787
90.847
141.838
72.91
91.232
136.913
75.839
768.333
101.370
-50.0
-278.4
-50.417
-39.4
-55.484
-60.007
-53.53
-56.89
-123.3
-27.7
-293.098
-224.53
190.886
181.880
183.164
125.298
±8.
±8.
±8
±8
121.134
±8.
C6H12O 2,5DiMethylTetraHydroFuran:
100.15888
-262.429
C6H12O2 liq. Caproic acid (liq.)
116.15828
-581.8
Compound
C6H10 Cyclohexene
C6H10 C5H7-CH3 Cypentene-4
C6H10O5 Cellulose crystalline
C6H10O5 Starch crysraline
(C6H10O5)n Cellulose n=500-
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
+26.79
101.464 310.632 17.271 †
38.49
101.249
309.518
205.700
171.565
182.200
293.791
17.208 #
X
#
43.856
161.350
401.922
X
25.542 #
417.768
404.206
401.219
391.885
390.786
383.848
387.438
375.530
384.042
386.671
317.527
315.207
315.794
363.668
434.509
365.867
398.579
390.430
381.027
380.119
380.623
297.389
344.506
332.710
331.752
24.512
24.878
24.272
22.942
101.569
±8.
119.916
±8.
165.834
±8.
110.421
±8.
796.300
±8.
83.063
±8.
-11.926 ±4.7
-243.938 ±12.5
-17.218
±8.
-6.4
±8
-22.617
±8
-27.366
±8
-20.82
±8
-24.26
±8
-83.715 ±0.68
+8.837 ±0.7
-251.287
±8.
-183.24
±8.
127.963
129.760
128.546
125.511
130.797
122.131
124.520
128.105
135.913
127.708
106.108
107.709
104.494
121.960
145.374
128.815
125.177
124.379
123.322
123.126
123.325
105.343
111.475
120.753
116.490
-222.572
±8.
123.843
345.507
21.612 #
±1.1
225.1
5000
C6H10O5 (S) Levoglucosan solid
C6H10O5 Levoglucosan
HO
O
O
HO
HO
C6H11 CH2=CHC3H6CH2* <!>
C6H11 CH3CH=CHC2H4CH2*
C6H11 trans 3-hexene-6-yl Rad
C6H11 CH2=C(CH2*)C3H7
C6H11 CH2=C(CH3)C3H6*
C6H11 CH3C(CH2*)=CHC2H5
C6H11 CH3C(CH3)=CHC2H4*
C6H11 (CH3)2C=CHCH*CH3
C6H11 (CH3)2CHCH*CH=CH2
C6H11 2-Methyl-1-pentene-4-yl
C6H11 Cyclohexyl Radical
C6H11+ Cyclohexyl Rad. cation
C6H11- Cyclohexyl Rad. anion
C6H11I Iodo-CycloHexane
C6H11O2 Caproyl Radical
C6H12 TRANS-3-HEXENE
C6H12 1-HEXENE
<!>
C6H12 2MP-1ene
C6H12 2MP-2ene
C6H12 4MP-2ene CIS
C6H12 4MP-2ene TRANS
C6H12 CYCLOHEXANE
C6H12 Ethyl-Cyclobutane
C6H12O Cyclohexanol chair
C6H12O Oxepane
#
#
#
#
22.609 #
24.237
24.212
23.975
18.513
18.731
18.307
21.420
27.114
23.931
24.110
24.263
24.489
24.421
24.504
17.545
20.593
19.659
20.187
#
#
#
#
#
#
#
#
#
#†
#
#
#
#
†
#
#
#
O
430
X
Table 6 (continued)
C6H12O2 C5H11COOH Caproic
C6H12O2 liq. Methyl Valereate
C6H12O2 C4H9COOCH3 Methyl
Valereate
C6H12O2 liq. Ethyl Butyrate (liq)
C6H12O2 C3H7COOC2H5 Ethyl
Butyrate
C6H12O6 α D Glucose (cr)
C6H12O6 Cy α/β Glucopyranose
116.15828
116.15828
116.15828
fH298
kJ/mol
-498.206
-514.2
-448.847
116.15828
116.15828
-528.4
-462.863
C6H12O6 Cy α/β Fructopyranose
180.15588
-1039.3
±12.5
X
C6H12O6 Cy α/β Glucofuranose
180.15588
-1025.08
±12.5
X
C6H12O6 Glucose chain
180.15588
-1016.24
-966.61 ±12.5
205.551
472.415
33.543 #
:
180.15588
-1035.02
-982.36
206.012
483.873
33.507 #
196.15528
-1329.26
-1278.13 ±12.5
216.499
490.528
36.380 #
85.16742
85.16922
85.16922
85.16922
85.16922
85.16922
207.18464
86.17536
86.17536
86.17536
86.17536
86.17536
86.17536
25.10
28.158
35.635
32.367
20.079
17.209
-175.310
-198.660
-166.92
-171.678
-170.025
-184.125
-175.941
57.480
61.309
±8.
70.799
±8
67.427
±8.
55.023
±8.
52.180
±8.
-121.079
-179.98 ±0.48
-130.02 ±0.48d
-133.185
±8.
-130.403
±8.
-144.475
±8.
-136.096
±8.
141.790
147.533
140.892
139.391
141.737
139.289
219.381
195.480
142.59
146.626
139.531
143.153
141.413
408.339
428.452
399.411
414.154
402.960
404.566
553.272
296.090
388.85
395.895
395.888
373.705
373.502
28.983
28.213
26.200
26.304
26.420
26.392
41.839
46.920
28.702
27.105
25.976
25.947
25.753
Compound
O
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-459.568
±8.
142.527 421.649 27.172 #
±7.1
X
-411.914
±8.
148.507 441.134 28.876 #
-425.524
±0.79
±8.
144.783
443.565
X
28.471 #
180.15588 -1273.700 -1190.641 ±1.2
180.15588 -1040.142 -990.924 ±12.5
201.300
205.153
209.500
482.620
#
33.952 #
OH
OH
OH
HO
OH
C6H12O6 D-Mannose
C6H12O7 Gluconic acid
:
N-C6H13 n - HEXYL RAD. <!>
2-C6H13 2-HEXYL RAD.
<!>
C6H13 2MP-1YL
C6H13 2MP-5YL
C6H13-S 2ME - 4PENTYL
C6H13-T 2ME 2PENTYL
C6H13N3O5 Butyl-NENA
C6H14(L) n-Hexane
C6H14 n-Hexane
<!>
H14C6 2-METHYLPENTANE
C6H14 3MethylPentane
C6H14 2,2-DMBUTANE
C6H14 2,3-DMBUTANE
431
†
#
#
#
#
#
#
†
†
#
#
#
#
Table 6 (continued)
Compound
Mol. Wgt.
fH298
kJ/mol
-377.5
-314.7
-337.963
-332.8
-292.5
-467.436
-521.3
 fH 0
kJ/mol
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±0.44
243.2
287.4
-269.230 ±1.4
139.043 376.040 24.468
-293.886
±8.
145.466 384.291 25.861
-290.429
154.62 381.688 27.567
-248.97
±8.
142.775 390.698 26.355
-421.704
155.199 414.829 28.545
-475.8
173.361 450.613 33.107
C6H14O (L) 1-Hexanol (liq)
C6H14O 1-Hexanol
C6H14O 2-Hexanol
C6H14O 3-Hexanol
C6H14O DiPropyl ether
C6H14O2 1,6-n-Hexadiol
C6H14O3
DimethyleneGlycolDimethylEther
102.17476
102.17476
102.17476
102.17476
102.17476
118.17416
134.17356
C6H14O6 Sorbitol (gas)
HOCH2(CHOH)4CH2OH
C6H15Bi Bi(C2H5)3
C6H15N N(C2H5)3
C6H15O+ (C2H5)3O+
C6H15P P(C2H5)3
C6H15Sb Sb(C2H5)3
C6N4 TetraCyanoEthylene
C6N6O6 BENZOTRIFUROXAN
C6N6O12 HexaNitroBenzene
C6T6 Benzene Hexatritium
C7 linear singlette 1g+
C7F16 Perfluoroheptane
C7H
C7H4 CH(C≡CH)3
C7H4(NO2)3 TNBenzyl radical
182.17176 -1162.315 -1104.640
128.09116
252.10284
348.09744
90.1632
84.0749
124.9
85.08284
88.10666
226.12328
216.0
-96.7
414.698
-146.465
-0.837
683.331
N/A
17.489
29.173
1322.34
-3383.97
1090.
725.786
158.574
C7H5N C6H5-CN Benzonitrile
C7H5NO Benzoxazole
103.12134
119.12024
X
#
#
#
#
#
#
213.152
480.064
33.963 #
166.237
153.104
155.400
161.983
507.172
436.303
370.702
451.179
33.637
29.817
27.192
31.413
1080.1 ±100.
727.696
±8.
184.984
135.244
200.972
293.817
104.950
98.927
300.804
110.882
122.862
214.316
386.043
416.395
664.089
287.907
314.106
704.075
330.513
342.282
491.241
213.066
28.61
227.443
48.207
±8.
±0.5
105.310
106.837
328.810
323.591
18.503 #
17.623 #
119.12024
183.2
202.491
±8.
108.914
325.602
17.934 #
135.18734
204.17
115.156
336.221
19.922 #
135.18734
218.237
115.283
336.894
19.113 #
296.1636
101.19004
103.18215
118.15706
-52.3
449.283
-102.687
+41.
680.464
N/A
44.587
44.113
1309.34
±17.
±8.
±8.
±8.
±11.
±8.
±8.
±8.
#
#
#
#
X
26.528 #
57.314 #
17.088 #
20.372 #
21.504 #
22.401 #
36.982 #
H
H
N
H
O
H
H
C7H5NO Anthranil
N
O
C7H5NS 1,3-Benzothioazole
222.44 ±0.37
N
S
1,2-C7H5NS 1,2-Benzothioazole
S
N
432
236.417
±8.
Table 6 (continued)
C7H5N2O4 2,4-DiNitroToluene-6-yl
181.12568
fH298
kJ/mol
268.613
C7H5N2O5 2-Me-3,5-
197.12508
-16.736
+8.522
227.13122
227.13122
-63.178
24.1
53.992
227.13122
-42.012
-14.260
287.1435
287.1435
41.003
152.3
105.11400
182.13362
182.13362
106.12404
122.12134
122.12134
91.13048
91.13048
91.12993
91.13048
91.13048
91.13048
116.8
-66.4
33.2
-39.179
-385.2
-299.344
280.696
208.0
918.76
311.708
311.708
534.519
Compound
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
292.273
177.746 443.328 30.915 #
192.961
464.658
33.657 #
244.680
215.417
284.9
481.936
37.698 #
218.764
515.965
39.838 #
±4.6
186.99 ±12.5
302.08
262.381
330.1
632.445
50.253 #
130.49
±8.
±3.
±3.3
±8.
108.240
342.800
172.330
111.428
±8.
±8.
±1.9
±8.
±8.8
±8.8
±2.2
119.577
109.167
109.700
99.312
103.671
99.035
95.877
446.473
336.148
167.7
362.037
332.619
318.229
306.083
338.718
318.863
297.781
NitroPhenoxy
TNT Solid
C7H5N3O6 TNT
O
-
H3C
±5.0
±3.5
O
+
+
N
N
O
O
-
+
O
-
N
O
C7H5(NO2)2-ONO
C7H5N5O8 Tetryl Solid
C7H5N5O8 Tetryl (g)
C7H5O C6H5-C*=O
C7H6N2O4(s) 2,4-DiNitroToluene
C7H6N2O4 2,4-DiNitroToluene
C7H6O BENZALDEHYDE
C7H6O2 (cr) Benzoic Acid solid
C7H6O2 C6H5-C(O)OH
C7H7 2,4,6-Cycloheptatriene-1-yl
C7H7 BENZYL RADICAL <!>
C7H7+ C6H5CH2*+
C7H7 o-Toluene radical
C7H7 p-Toluene radical
C7H7 Quadricyclene Appex Rad.
R
433
61.24
-21.320
-279.062
298.308
226.8
933.06
329.95
556.275
19.194 #
X
30.767 #
19.260 #
X
21.177 #
19.401 #
18.178 #
16.513 #
18.770 #
#
Table 6 (continued)
91.13048
fH298
kJ/mol
581.346
91.13048
588.94
91.12993
121.13662
137.13620
137.13620
107.12988
123.12928
92.13842
92.13842
92.13842
92.13842
1065.60
-41.3
30.96
33.89
125.909
0.6
12.18
50.17
179.14d
212.5d
C7H8 (liq) Quadricyclene
C7H8 Quadricyclene
92.13842
92.13842
302.1
337.23
363.987
C7H8 1,3,5-Cycloheptatriene
92.13842
371.138
92.13842
108.13782
Compound
C7H7 Quadricyclene Basis Rad.
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
603.316 ±2.2
90.683 299.778
#
R
C7H7 Quadricyclene Shoulder R
611.424
±2.2
90.774
299.687
#
109.06
127.181
99.574
138.079
117.167
131.568
157.29
103.279
324.049
374.262
343.083
381.637
351.816
369.211
221.030
320.187
98.054
293.803
#
#
#
#
#
#
†
†
X
15.402 #
±2.2
±2.2
91.551
228.420
X
#
394.044
±8.
107.362
315.427
18.340 #
395.739
-132.298
413.020
-108.55
±8.
130.046
128.026
361.047
360.116
23.966 #
21.838 †
108.13782
-94.6
-70.081
±3.0
119.290
360.634
21.068 #
140.20382
124.1372
-85.939
-249.6
-59.533
-222.82
141.244
135.6
384.301
382.066
23.593 #
23.219 #
R
C7H7+ C5H4*CH=CH2
C7H7NO 2-AcetylPyridine
p-C7H7NO2 p-NitroToluene
o-C7H7NO2 2-NitroToluene
C7H7O C6H5-CH2O*
C7H7O2 p-Guiacyl rad
TOLUENE(L)
C7H8 TOLUENE
<!>
C7H8 (liq) Norbornadienec
C7H8 Norbornadiene
C7H8 1,6-Heptadiyne
C7H8O CRESOL
1077.11
±8.
-18.394 ±2.9
63.000 ±3.9
59.919
146.9
±8.
23.64
19.957 ±0.36d
73.476 ±0.37d
±1.d
238.345 ±1.2d
19.303
22.782
17.928
23.999
20.362
22.654
33.470
17.940
OH
CH3
C7H8O BENZYL-ALCOHOL
OH
C7H8OS Benzyl Alcohol Mercaptan
C7H8O2 m-Guaiacol
OH
CH3
O
434
Table 6 (continued)
Compound
C7H9 2-CH3-4=CH2-1CyPenten
C7H10 Cyclopentyl-Acetylene
C7H10 5,5 dimethyl-1,3-CPD
C7H10 2,5 dimethyl-1,3-CPD
C7H10 2,4 dimethyl-1,3-CPD
C7H10 2,3 dimethyl-1,3-CPD
C7H10 NORBORNENE
C7H10N2O2 Cyclo(Pro-Gly)
C7H11
CH2=CHCH*CH2CH2CH=CH2
C7H12 NORBORNANE
C7H12 1-Heptyne
C7H12 CY-HEPTENE
C7H12
CH2=CHCH2CH2CH2CH=CH2
C7H13 Cycloheptanyl Radical
C7H13 1-Heptyl-4/5 ene
C7H13 1-Heptene-4-yl
C7H14 n-HEPTENE
<!>
C7H14 CY-HEPTANE
C7H14O Methyl Isoamyl Ketone
(CH3)2CHCH2CH2C(=O)CH3
C7H14O2 (liq) Enanthic acid
C7H14O2 n-Heptanoic acid
C7H14O2 Me-Hexanoate
C7H14O2 Ethyl Pentanoate
C7H15 n-HEPTYL RAD.
<!>
C7H15 NEOHEPTYL-1
C7H15 NEOHEPTYL-2
C7H15N3O5 Pentyl-NENA
C7H15O 3,3dimethyl1-pentanoxy
C7H16(L) n-Heptan
C7H16 n-HEPTAN
<!>
C7H16 iso-Heptan
C7H16 NEOHEPTAN
C7H15OH n-Heptanol
C7H15OH Neoheptanol
C8 (1Ag) linear singlette
C8 (3-g) linear triplet
C8H CHC-CC-CC-CC*
93.14636
94.15430
94.15430
94.15430
94.15430
94.15430
94.15430
fH298
kJ/mol
190.862
166.096
81.211
74.659
63.513
61.894
79.806
154.16658
95.16224
-341.012
199.12
96.17018
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
216.044
±8.
118.751 344.962 20.298
194.511
±8.
118.125 349.171 21.300
109.705
±8.
122.658 333.143 21.221
103.023
±8.
120.843 341.862 21.352
91.186
±8.
121.800 347.404 22.042
89.955
±8.
117.103 344.813 21.654
113.391
±8.
100.827 305.343 16.129
#
#
#
#
#
#
#
-301.25 ±12.5
228.538
±8.
158.210
128.837
401.299
413.554
27.301 #
24.524 #
-53.572
-12.727
±4.2
109.112
308.182
17.338 #
96.17018
96.17018
96.17018
103.800
-7.866
65.07
135.768
30.578
98.56
±2.6
±8.
±8.
143.815
120.515
128.189
400.484
324.394
403.896
26.215 #
19.739 #
24.692 #
97.17812
97.17812
97.17812
98.18816
98.18606
114.18546
77.739
132.2
129.7
-62.76
-115.6
-307.56
118.315
194.632
192.117
-26.9
-69.83
-266.18
±8.
126.683
148.532
149.900
153.500
123.552
160.711
353.102
435.136
505.000
425.600
340.393
429.073
21.841 #
130.18486
130.18486
130.18486
130.18486
99.1940
99.1961
99.19400
221.21122
115.1955
100.20194
100.20194
100.20194
100.20194
116.20134
116.20134
96.08560
96.08560
97.09354
-608.5
-534.3
-505.43
-512.65
4.39
3.000
-2.926
-195.811
-142.256
-224.35
-187.78
-194.600
-199.284
-339.741
-359.657
1458.866
1513.8
1230.0
162.604
169.320
448.539
451.890
164.430
164.117
168.595
239.882
171.86
224.980
165.180
164.500
157.434
185.339
179.907
107.988
100.651
125.662
448.029
426.783
430.562
591.344
328.026
328.560
428.095
420.500
359.044
486.155
493.957
330.429
301.647
354.191
435
±8.
±0.9
-489.48 ±12.5
-461.8 ±12.5
±12.5
41.732
44.181
±8.
37.433
±8.
-135.708
-201.87 ±0.74d
-145.88 ±0.74d
-150.40
-150.56
±8.
-296.292 ±1.6
-319.671
1445.44
1500.3
±8.
1218.5 ±100.
30.790 †
20.882 #
29.614 #
X
30.514 #
31.739 #
X
33.543 †
29.704 #
30.526 #
45.487 #
52.640
33.221
30.920
26.395
36.010
39.474
21.848
21.932
24.131
†
†
†
#
#
#
#
#
#
Table 6 (continued)
C8H2 CHC-CC-CC-CCH
C8H5 CHC-CH=CHCH=C*CCH
C8H5 C6H5CC*
C8H5 o-C6H4*CCH
C8H6 C6H5CCH
<!>
C8H6 Pentalene
BiCycloOctaTetraene
98.10388
101.12530
fH298
kJ/mol
900.0
808.453
101.12530
101.12530
102.13324
102.13324
654.934
559.0
317.683
374.857
665.190
569.1
330.632
391.355
±8.
C8H6 Benzocyclobutene
C8H6O BENZOFURANE
102.13324
118.13264
410.015
17.0
134.13204
Compound
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
891.8 ±60.
134.364 348.303 25.093 #
812.494
±8.
141.494 402.387 26.558 #
±8.
±8.
108.279
113.041
125.784
104.650
334.534
339.080
334.300
312.047
19.342
19.471
20.883
17.335
#
#
#
#
426.377
37.048
±8.
±1.5
105.597
111.964
312.114
326.193
17.471 #
18.124 #
-71.2
-49.95
±6.
128.967
347.408
21.265 #
134.19924
165.703
184.431
±8.
119.919
338.823
19.517 #
103.14358
103.14118
103.14118
103.14118
103.14118
117.14792
393.5
367.686
401.827
503.921
503.795
156.5
411.737
385.134
420.034
522.020
521.914
179.576
±8.
±8.
±8.
±8.
±8.
±1.25
117.820
120.881
116.318
118.407
118.425
121.626
349.841
355.861
350.846
340.591
340.577
332.432
19.830
20.618
19.860
19.948
19.948
19.325
C8H7N o-C6H4(CH3)CN
C8H8 CUBANE
117.14792
104.14912
187.8
611.253
207.9
639.285
±8.
126.286
93.988
364.066
269.749
22.306 #
14.269 #
C8H8 STYRENE
104.14912
149.13
171.65
±8.
117.80
338.530
19.781 #†
<!>
C8H8 1,3,5,7 Cyclooctateraene
C8H8 2,3,5,7 Cyclooctateraene
C8H8 Benzocyclobutane
C8H8O Acetophenone
104.14912
104.14912
104.14912
120.14852
297.6
389.434
200.476
-86.7
319.294
411.499
224.662
-63.26
±1.3
±8.
±8.
±1.7
122.616
118.990
109.342
132.600
327.102
338.828
317.617
374.437
20.607
20.235
18.115
23.205
O
C8H6O2 Benzodioxin
O
O
C8H6S BENZOTHIOPHENE
S
C8H7 n-STYRYL RADICAL
C8H7 i-STYRYL RADICAL
C8H7 o-C6H4CH=CH2
C8H7 1,3,5,7Cy-octateraene-1-yl
C8H7 2,3,5,7Cy-octateraene-1-yl
C8H7N INDOLE
#
#
#
#
#
#
H
N
436
#
#
#
#
Table 6 (continued)
136.14792
136.14792
fH298
kJ/mol
-328.94
-273.187
C8H8O3 Methyl Paraben
152.149
-463.587
170.750
454.508
X
C8H8O3 Methyl Salicylate
152.149
-458.817
179.950
441.035
X
C8H9 C6H5CH2CH2*
C8H9 C6H5CH*CH3
C8H9 1,3-BiMeBenzen-5-yl
C8H9 1,2-CH3C6H4CH2*
C8H9+ meta CH3C6H4CH2*+
C8H10 C6H5C2H5
<!>
C8H10 o-Di Methyl Benzene
105.15706
105.15706
105.15706
105.15706
105.15651
106.16500
106.16500
237.714
185.841
266.3
181.799
871.6
29.790
18.464
262.114
210.129
290.285
207.049
890.46
58.81
47.858
±8.
±8.
±8.
±8.
±8.
±8.
130.543
127.246
123.521
128.223
125.468
129.799
121.692
359.343
365.597
365.106
348.836
349.393
337.688
353.784
22.135
22.246
22.550
21.285
21.480
22.280
21.374
C8H10 p-Di METHYLBENZENE
C8H12 3,6-di-CH3-1,4-hexadiene
106.16500
108.18088
110.19676
19.652
52.622
80.700
50.476
88.364
119.446
±8.
±8.
±3.4
118.286
139.021
161.622
352.115
352.015
423.116
19.944 #
23.495 #
28.959 #
110.19676
110.19676
110.19676
110.19676
68.300
-99.035
26.8
-67.
-51.705
65.76
±1.5
±1.
±26.
±3.
125.174
163.802
327.572
406.037
X
20.374 #
28.720 #
X
110.19676
-136.
110.19676
-93.
-46.183
111.20710
112.21264
112.21264
144.21144
144.21144
113.2223
114.22852
109.1
-83.59
-114.386
-634.8
-553.96
-16.32
-250.260
181.039
-42.768
-62.136
Compound
C8H8O2 MethylBenzoate solid
C8H8O2 MethylBenzoate
C8H14 1-Octayne HC≡CC6H13
C8H14 2-Octayne CH3C≡CC5H11
C8H14 CH(-CH2-CH2-)3CH
C8H14 1,5-Hexadiene-3,4-dimethyl
C8H14 transBicyclo[3.3.0]octane
C8H14 liq cisBicyclo[3.3.0]octane
C8H14 cis-Bicyclo[3.3.0]octane
C8H15 1-Octen-4-yl
1-C8H16 1-OCTENE
<!>
C8H16 CycloOctane
C8H16O2 (liq) Caprylic acid
C8H16O2 n-Octanoic acid
N-C8H17 N-OCTYL RAD
C8H18(L) n-Octane
<!>
Mol. Wgt.
437
 fH 0
kJ/mol
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±0.74
X
-247.825 ±0.77 141.791 395.350 25.355 #
±1.
±2.
±8.
±0.8
-502.584 ±12.5
+25.983
-227.11 ±0.79d
#
#
#
#
#
†#
#
X
127.575
340.935
172.717
176.100
143.577
481.400
464.840
341.566
185.105
187.070
254.150
476.251
488.879
361.071
20.887 #
35.350 †
23.923 #
X
33.476 #
38.103 †
61.490 †
Table 6 (continued)
C8H18 OCTANE
<!>
C8H18(L) isooctane 2,2,4 t.m.penta
C8H18 ISO-OCTANE
C8H18O Octanol C8H17OH
(CH3)3C-OO-C(CH3)3 Liquid
C8H18O2 (CH3)3C-OO-C(CH3)3
C8H20Pb (C2H5)4Pb Liquid
C8H20Pb (C2H5)4Pb Gas
C9 (1+g)
C9H
C9H4 C(CCH)4
C9H7 1-INDENYL
C9H7 3-INDENYL Rad
C9H7 7-Indenyl Rad
C9H7+ C6H5CH=C=CH*+
C9H7 o-C6H4-C≡CH(CH2*)
C9H7 p-C6H4-C≡CH(CH2*)
C9H7N QUINOLINE
114.22852
114.22852
114.22852
130.22792
146.22732
146.22732
323.4444
323.4444
108.0963
109.10424
112.12806
115.15188
115.15188
115.15188
115.15133
115.15188
115.15188
129.15862
fH298
kJ/mol
-208.75
-259.160
-224.01
-356.00
-380.8
-343.
53.0
109.6
1563.57
1310.
913.78
285.6
430.726
420.492
1128.8
433.462
430.952
200.52
C9H7N ISOQUINOLINE
129.15862
204.61
227.487
C9H8 INDENE
116.15982
164.138
187.693
C9H8 o-EthynylToluene
116.15982
280.07
C9H8 m-EthynylToluene
C9H8 p-EthynylToluene
p-HC≡C-C6H4-CH3
C9H8 C6H5-CH2C≡CH
C9H8 C6H5-C≡C-CH3
C9H9 Indanyl Radical any
location
C9H10 INDANE
116.15982
116.15982
Compound
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-161.89 ±0.79d 187.780 467.352 37.780
-224.71 ±1.5d 239.000 328.110 50.190
-171.54 ±1.5d 188.410 423.090 32.170
-300.63
±5.
182.727 471.669 33.612
±2.0
219.150 482.400
±5.
169.315 ±5.1
233.217 477.890
1553.48
±8.
122.991 356.062 24.670
1296.8 ±125. 140.858 379.086 26.889
918.435
126.858 330.747
304.521 ±22
128.21 342.843 20.199
450.705
117.958 337.956 19.141
440.471 ±12.
117.958 337.956 19.141
1139.4
±8.
130.197 358.376 22.341
450.39
138.220 359.573 22.192
448.536
135.173 349.701 21.536
223.454
129.153 344.075 20.521
†
†
†
#
X
X
#
#
#
#
#
#
#
#
#
#
#
128.983
344.568
20.578 #
±1
124.226
335.846
19.799 #
299.6
±17.
140.119
364.777
23.836 #
275.31
275.89
295.09
297.88
±17.
136.183
127.979
363.845
348.429
23.568 #
21.376 #
116.15982
116.15982
117.16776
299.6
268.2
249.166
288.2
275.607
±2.2
±8.
136.398
131.273
128.908
372.794
368.649
346.062
#
23.388 #
21.146 #
118.1757
60.9
92.3
±2.1
125.732
336.366
20.412 #
438
Table 6 (continued)
C9H10 METHYLSTYRENE
118.17570
fH298
kJ/mol
112.968
C9H10 C6H5-CH2CH=CH2
C9H10 1,2-C6H4-CH=CH2(CH3)
C9H10 CycloPropylbenzene
118.17570
118.17570
118.17570
136.4
277.82
150.7
163.95
305.8
180.334
C9H11NO2 PhenylAlanine
165.18918
-321.750
-282.290
C9H10O2 Ethyl Benzoate solid
C9H10O2 Ethyl Benzoate
150.17450
150.17450
C9H11 C6H5-CH2CH2CH2* Rad
C9H12 C(CH=CH2)4
C9H12 1,3,5-Trimethylbenzene
C9H12 1,2,4-Trimethylbenzene
C9H12 Propylbenzene
Compound
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
141.060
138.712 373.528 23.730 #
±1.
137.938
142.317
133.441
386.823
366.065
356.283
24.269 #
24.019 #
22.188 #
±4.2
179.967
442.003
29.612 #
-365.230
-306.570
±0.94
-275.309 ±0.97
163.940
433.694
X
29.241 #
119.18364
120.19158
120.19158
120.19158
120.19158
214.639
250.6
-16.067
-13.933
7.82
244.241
279.18
44.22
46.36
42.33 ±0.84
150.956
174.032
147.800
154.508
145.803
413.439
417.887
385.300
395.765
403.398
C9H12 Isopropyl Benzene (liq.)
C9H12 Isopropyl Benzene
120.19158
120.19158
-41.2
3.9
±1.1
±1.1
150.426
376.905
Cumene
C9H16 1-Nonenyl CH3(CH2)6C≡CH
C9H17 1-Nonenyl Radical <!>
C9H18 1-Nonene
<!>
C9H18O2 (liq) Pelargic acid
C9H18O2 n-Nonanoic acid
C9H18O6 cyTriAcetoneTriPeroxy
N-C9H19 n-NONYL RAD
<!>
N-C9H20 liq. NONANE
N-C9H20 NONANE
<!>
1-C9H20O 1-Nonanol
C10 (1A'l) cyclic Singlet
124.22334
125.23398
126.24192
158.23802
158.23802
222.23562
127.2491
128.2578
128.2551
144.25450
120.10700
63.000
88.400
-432.207
-658.0
-573.6
-395.472
-37.03
-275.475
-228.300
-377.0
1459.363
181.172
195.709
200.269
477.050
520.900
505.000
206.200
302.788
209.710
284.386
186.962
199.781
132.726
515.713
499.584
527.419
393.673
482.757
502.547
373.758
439
38.5
106.800
169.860
±1.
±0.9
-516.938 ±12.5
-331.52 ±22
+10.234
-169.307
-315.495
1443.5
±1.
±9.
26.454 #
31.734 #
25.779 #
X
25.647 #
33.427 #
X
37.686 #
47.780 #
42.664 †
35.169 #
36.997 #
26.376 #
Table 6 (continued)
C10 estimated linear singlet
C10 (3-g) linear triplet
C10D8 NAPHTHALENE-D8
C10H
C10H2
C10H4Cl4 2,3,6,7-Cl-Naphthalen
120.10700
120.10700
136.21982
121.11494
122.12288
265.94956
fH298
kJ/mol
1665.0
1741.11
118.050
1450.
1120.
50.21
C10H6 Naphtyne
126.15764
500.825
515.5
C10H6 1,3-EthynylBenzene
C10H7 Naphtyl Radical
126.15464
127.16558
552.121
396.225
562.954
415.418
C10H7 C6H5CH=CH-CC*
C10H7 C6H4*CH=CH-CCH
C10H7 C6H4(C2H)CH=CH*
C10H7I (L) 1-Iodonaphthalene
Liq.
C10H7I 1-Iodonaphthalene
C10H7O* Naphthol Radical
H8C10 AZULENE
127.16558
127.16558
127.16558
254.06705
687.515
630.612
617.140
162.
701.677
645.066
631.762
254.06705
143.15498
128.17052
234.
115.478
308.00
136.47
331.306
C10H8 NAPHTHALENE
128.17052
150.582
174.276
C10H8
128.17052
377.732
C10H8 Penta Fulvalene
128.17052
C10H8O Naphtol
Compound
Mol. Wgt.
 fH 0
kJ/mol
1725.189
139.214
1435.2
1108.5
62.584
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±12.5
133.694 382.818 26.460
156.120 350.531 23.647
±125. 155.644 402.686 29.534
±80.
164.350 396.743 30.501
192.982 449.224 32.457
X
#
#
#
#
#
132.178
347.542
21.264
±8.
149.360
132.216
372.020
352.133
25.106 #
20.980
±20
±20
144.738
148.770
152.555
406.909
402.203
393.607
26.011 #
25.719 #
25.551 #
X
158.574
146.882
132.175
394.133
373.015
348.306
23.522
21.101 #
±1.5
131.920
333.267
20.713 †
396.805
±17.
149.806
386.765
25.334 #
374.422
396.023
±8.
137.780
352.832
22.806 #
144.17292
-30.794
-6.37
154.318
368.709
24.318 #
129.17791
129.17846
129.17846
129.17846
129.17846
889.
229.534
444.508
262.337
262.086
909.5
255.533
466.692
287.549
287.435
135.256
143.289
152.314
144.004
140.773
354.804
363.659
419.069
369.098
370.873
21.951
22.643
26.458
23.429
23.292
R
±6.3
±8.8
<!>
OH
C10H9+ Protonated Azulene+
C10H9 2-HydroNaphthalen Rad
C10H9 C6H5CH=CHCH=CH*
C10H9 1-Methyl-1-Indenyl Rad
C10H9 7-Methyl-1-Indenyl Rad
440
±20
±20
#
#
#
#
Table 6 (continued)
C10H9 1-Methylene-Indene Rad
C10H9 2-Methylene Indene Rad
C10H10 1,2-DihydroNapthalene
129.17846
129.17846
130.1864
fH298
kJ/mol
337.649
266.5
117.152
C10H10 1,1’-BiCycloPentadiene
130.1864
291.625
320.336
143.016
385.011
24.164 #
C10H10 2,2’’-BiCycloPentadiene
130.1864
291.056
318.773
150.301
386.504
25.159 #
C10H10 1-Methyl Indene
130.1864
184.933
214.695
±20
144.346
360.391
23.113 #
C10H10 2-Methyl Indene
C10H10 3-Methyl Indene
C10H10 7-Methyl Indene
130.1864
130.1864
130.1864
173.636
173.218
130.96
202.811
202.400
160.15
±20
±20
±17.
146.240
146.056
145.505
364.509
364.755
364.732
23.701 #
23.694 #
23.686 #
130.1864
130.1864
180.20048
259.74
254.973
-367.77
285.47
281.140
-327.93
±17.
±17.
158.091
155.663
200.139
404.167
406.408
476.25
27.151 #
26.709 #
34.521 #
C10H13 C5H7-C5H6*
C10H14 3,3-C5H7-C5H7 bicyclo
133.21322
134.21816
197.15
108.784
152.131
±20
±20
149.452
155.753
395.356
401.109
26.465 #
11-C10H15 JP-10 apex Radical
135.22910
105.650
157.726
142.526
359.233
21.970 #
135.22910
96.32
149.14
138.190
355.345
21.225 #
C10H15 C5H8*-C5H7
C10H16 exo THDCPD(liq)
C10H16 endo THDCPD (liq)
C10H16 exo THDCPD (g)
135.22910
136.23404
136.23404
136.23404
171.54
-126.4
-114.7
-76.6
217.32 ±125.5
166.487
419.405
-21.09
±8.
149.304
358.467
28.268 #
X
X
22.767 #
C10H16 endo THDCPD (g)
C10H16 adamantane (g)
136.23404
136.23404
-63.4
-135.6
-7.498
-77.656
±8.
±8.
149.986
142.684
353.758
317.860
22.378 #
20.336 #
Compound
C10H10 o-Ethyl-Ethyny Benzene
C10H10 p-Ethyl-EthynylBenzene
C10H12O3 Coniferyl alcohol
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
363.520 ±20
144.045 364.065 22.771 #
±20
X
147.213
143.955 359.383 22.797
O
H3C
OH
HO
R
6-C10H15 JP-10 Tert side Rad.
R
441
Table 6 (continued)
136.23404
136.23404
fH298
kJ/mol
-76.555
3.090
136.23404
5.439
51.989 ±13.5
182.998
426.208
31.730 #
136.23404
11.715
58.258 ±13.5
183.097
420.527
31.737 #
138.24992
138.24992
-179.3
-127.8
±1.0
-70.05
238.9
167.750
427.551
X
29.001 #
C10H18 1-Decyne HC≡C-C8H17
C10H19 1-Decenyl 4/5 Radical
C10H19 1-Decenyl 3 Radical
C10H20 1-Decene
<!>
C10H20 2-Decene-trans
C10H20 3-Decene-trans
C10H20 cyclo CycloDecane
C10H20O2 (liq) Capric acid
C10H20O2 n-Decanoic acid
N-C10H21 n-Decyl 1Radical<!>
C10H21 n-Decyl – 2-Radical <!>
C10H21 n-Decyl-3/4 Radical<!>
N-C10H22 liq DECANE
N-C10H22 gas-DECANE
<!>
C10H22 2,2,3,3,4 PentaMethylPentane
1-C10H22O 1-Decanol
C10H22O4 TPGME
138.24992
139.26086
139.26086
140.26580
140.26580
140.26580
140.26580
172.26460
172.26460
141.27374
141.27674
141.27674
142.28468
142.28468
142.28168
41.900
67.900
2.600
-123.900
-136.200
-135.500
-154.4
-713.7
-593.7
-57.74
-58.100
-58.200
-301.039
-249.534
-268.6
92.217
158.882
93.582
-66.221
-78.629
-77.332
-89.5
198.190
218.653
221.077
202.582
199.059
197.988
184.236
505.767
560.300
567.300
511.975
516.993
515.334
388.931
225.282
232.350
230.534
230.534
314.511
233.049
226.648
524.779
567.109
567.300
567.300
425.889
545.677
449.075
158.28111
206.27928
-395.
-812.1
462.743
738.945
±10.
218.651
273.234
534.304
557.023
40.281 #
47.874 #
C11 singlet
C11H radical
HC11N HC10CN
132.11770
133.12564
147.13238
1792.06
1530.
1270.
1775.137
±8.
1513.5 ±150.
1253.8 ±100.
144.086
170.848
190.022
394.396
427.700
458.112
28.517 #
32.321 #
36.314 #
Compound
C10H16 JP-10 (g) fuel Equil mix
C10H16 +Limonene
C10H16
Mol. Wgt.
 fH 0
kJ/mol
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±8.
149.306 358.457
X
50.937 ±1.02 182.526 420.085 30.433 #
 -Terpinene
C10H16  -Terpinene
C10H18 (liq) 1,1'-Bicyclopentyl
C10H18 1,1'-Bicyclopentyl
442
±3.4
±1.7
±0.9
-529.69 ±12.5
-5.514
-192.75
-202.6
36.431 #
37.537
37.645
37.048
30.321
#
#
#
#
X
39.879 #
47.224 †
46.903 #
37.684 #
Table 6 (continued)
155.17598
fH298
kJ/mol
174.891
156.18392
30.543
54.59
162.397
383.881
25.754
C11H8 1-Ethynyl-Indene
140.18122
415.764
436.369
153.101
378.856
24.856 #
C11H8 7-Ethynyl-Indene
140.18122
390.284
410.764
154.528
377.364
24.951 #
1-C10H7-CH2* Methyl-Naphthyl
C11H9 1-C10H6*-3-CH3 Rad.
C11H9 1-CH3-3-C10H6* Rad
C11H10 1-C10H7-CH3
MethylNaphthalen
C11H10 C6H5-1-C5H5
C11H11 1,2-H-Naphthalene-1Me-2yl
C11H11 1,7-DiMethyl-1-Indenyl
C11H12 1-Methyl-1,2 DihydroNaphthalene
141.19246
141.18916
141.18916
142.20040
272.797
367.35
367.355
116.106
297.846
393.3
392.737
145.0
158.090
152.892
152.859
157.922
378.770
371.356
375.537
381.348
24.645
23.744 #
24.313 #
25.026
142.19710
143.20504
238.07
208.974
266.9
241.733
151.509
161.429
390.667
382.675
25.112 #
25.404 #
143.20504
144.21298
214.304
104.47
245.35
141.39
169.212
162.316
392.335
377.375
27.112 #
25.486 #
C11H12 1,1 DiMethyl Indene
144.21298
107.110
142.882
170.066
381.707
26.625 #
C11H12 1,7 DiMethyl Indene
144.21298
99.579
134.861
169.807
386.907
27.115 #
C11H22O2 n-Undecanoic acid
C11H22O2 MethylDecanoate
C11H24 N-UNDECANE
<!>
C11H24O 1-Undecanol
C11N *C10-CN Radical
C12 +g linear singlet
C12 linear triplet
O-C12D9 O-BIPHENYL Radical
C12D10 BIPHENYL – D
C12H
C12H2
186.29118
186.29118
156.31156
172.30766
146.12444
144.12840
144.12840
162.25532
164.26942
145.13634
146.14428
-612.96
-584.1
-270.286
-420.0
1500.
1913.7
1964.1
386.5
138.410
1670.
1340.
-543.14
-516.58
-208.54
-302.5
1479.45
1895.3
1945.56
407.176
163.029
1651.89
1325.2
245.847
254.904
255.684
270.286
185.004
158.347
159.729
194.573
199.244
185.671
194.154
577.079
567.095
584.923
635.55
462.108
416.774
427.047
428.719
413.432
451.233
445.249
43.603 #
45.899 #
51.463 #
Compound
1-C10H7C*O Naphtaldehyde
Rad.
1-C10H7CHO Naphtaldehyde
C11H8O
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
193.741
161.693 399.949 26.717
O
443
±17.
±12.5
±12.5
±150.
±12.5
±12.5
±150.
±100.
36.477
31.035
31.198
30.527
30.868
34.985
35.889
#
#
#
#
#
#
#
Table 6 (continued)
Compound
C12H4CL4O 2,3,6,7
305.97036
fH298
kJ/mol
-50.
305.97036
-58.
-44.108
±10
225.552
493.238
38.388
321.96976
-136.1
-120.71
±10
241.524
513.049
41.226 #
321.96976
-174.10
-158.934
±10
241.685
520.954
41.454 #
321.96976
-174.130
-158.961
±10
241.657
520.551
41.452
337.97276
-295.37
-278.36
256.811
533.525
43.948
357.42246
357.42246
392.87516
-95.550
-125.900
-201.95
-80.345
-112.30
-187.778
264.387
266.495
287.872
571.035
600.066
625.238
46.006 #
47.612 #
51.630 #
392.87876
-321.92
286.707
573.925
49.483
303.52800
-348.99
-329.03
241.279
505.020
40.642
322.98130
338.97710
338.97710
-85.52
-432.42
-321.79
-69.659 ±25.1
-412.55 ±62.8
-301.82 ±62.8
250.467
265.578
263.787
582.730
551.043
550.127
44.993
45.331
45.226
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-35.924 ±10
225.108 496.028 38.205
Cl
Cl
Cl
O
Cl
C12H4CL4O 2,4,6,8
Cl
Cl
O
Cl
Cl
C12H4CL4O2 2,3,7,8
Cl
O
Cl
Cl
O
Cl
C12H4CL4O2 1,3,6,8
Cl
Cl
O
O
Cl
Cl
C12H4CL4O2 1,3,7,9
Cl
Cl
O
Cl
O
Cl
C12H4CL4O3 1,3,6,8
Cl
Cl
O
OH
O
Cl
Cl
C12H4CL5O2 spiro radical
C12H4CL5O2 6-2’ ether radical
C12H4CL6O2 2-6’ ether
±10
±10
±10
O
Cl
Cl
O
OH
Cl
Cl
Cl
Cl
C12H4CL6O2 Biphenyl-diol
HO
Cl
Cl
-305.6 ±33.5
OH
Cl
Cl
Cl
Cl
C12H5CL3O3 2,4,7 trichloro
OH
Cl
O
O
Cl
Cl
C12H5CL4O2 6-6’ ether radical
C12H5CL4O3 radical
C12H5CL4O3 radical
444
Table 6 (continued)
Compound
C12H5CL5O2 6-6’ ether
Cl
O
358.43040
fH298
kJ/mol
-265.590
237.08084
253.08024
323.98564
5.2
-89.3
-207.57
25.245 ±24.7
-67.92 ±26.6
-187.21
192.255
209.088
256.821
439.242
461.386
561.466
44.729
151.18758
151.18398
152.19552
694.962
525.300
259.7
710.644
544.948
283.489
±8.
±5.9
162.077
146.923
148.772
397.847
338.218
338.676
26.598
22.633 #
22.726 #
152.19192
417.20
440.025
±1.9
150.492
359.810
23.689 #
152.19552
255.09612
168.19132
379.070
-231.794
55.3
398.592
-167.418
80.812
391.974
528.021
375.274
26.992
±0.3
169.895
238.488
163.566
184.19432
-50.1
-23.24
±2.2
180.004
396.647
28.336 #
184.25792
211.3
235.78
±4.5
168.265
387.659
26.450 #
153.20346
153.20346
153.19986
153.2031
188.65256
167.2102
154.21140
154.20780
469.863
412.208
465.262
427.73
149.79
200.7
215.058
411.4
492.963
434.879
489.2
451.889
175.72
172.891
175.034
163.749
163.048
177.275
176.877
173.671
166.517
404.234
407.260
410.373
405.110
423.758
388.305
400.851
381.190
27.649
28.077
26.810 #
26.589 †
29.406 #
154.21140
182.13
210.329
166.179
388.941
26.783 †
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-247.196 ±10.
272.572 577.900 47.051 #
Cl
O
Cl
Cl
Cl
Cl
C12H6CL2O DCDF
C12H6CL2O2 DCDD
C12H6CL4O2 6-2’ ether
Cl
#
#
Cl
O
OH
Cl
Cl
1-C10H7-CC* EthynylNaphthyl
C12H7 5-Acenaphtylenyl Rad.
C12H8 Acenaphthylene
C12H8 Biphenylene
C10H7-CCH EthynylNaphthalen
C12H8Cl2O2
C12H8O Di-Benzo-Furan
25.229 #
O
C12H8O2 Di-Benzo-p-Dioxin
O
O
C12H8S Di-Benzo-Thiophene
S
1-C10H7-CH=CH* Vinyl-Naphthyl
1-C10H7-C*=CH2
C12H9 8-C10H6*-CH=CH2
O-C12H9 O-BIPHENYL RAD
p-C12H9CL ChloroBiphenyl
C12H9N CARBAZOLE
1-C10H7-CH=CH2
C12H10 Heptalene
C12H10 BIPHENYL
<!>
445
242.302
439.727
±0.7
27.738
26.655 #
Table 6 (continued)
Compound
(C6H5)2N* Biphenylamin Rad.
C12H11 1-C10H7-CH2CH2*
C12H11 1-C10H7-CH*-CH3
C12H12 1,3-DimethylNaphthalen
1-C10H7-C2H5 EthylNaphthalen
C12H12O 1-C10H7CH2CH2OH
C12H18 HexaMethyl Benzene
C12H20O10 Cellobiose biradical
C12H22O11 Cellobiose/Maltose
C12H22O11 solid Sucrose
C12H23 liquid JET-A(L)
C12H23 JET-A (Kerosine)
C12H23O2 O=CH(CH2)10CH2O*
C12H23O2
C6H13C(O)CH2CHO*C3H7
C12H24 CycloDodecane
C12H24O2 n-Dodecanoic acid
liq
C12H24O2 n-Dodecanoic acid
C12H26 N-DODECANE
<!>
C12H26O (liq.) 1-Dodecanol
C12H26O 1-Dodecanol
C13H9 1-Phenalenyl Radical
C13H9N ACRIDINE
168.21454
155.21934
155.21934
156.22368
156.22728
172.22668
162.27132
324.2812
342.29648
fH298
kJ/mol
354.5
292.88
220.497
83.68
96.901
-52.718
-77.4
-1392.7
-2162.7
342.2965
-2228.9
424.3
392.4
X
167.31102
167.31102
199.30982
199.30982
-303.469
-211.46
-303.2
-351.0
350.336
293.494
294.1
295.8
448.112
612.539
691.2
676.97
†
†
168.31896
200.31776
-228.446
-775.1
-150.694
224.464
459.344
36.507 #
X
200.31776
170.33844
186.33424
186.33424
165.21056
179.2212
-633.0
-290.872
-528.5
-440.99
264.3
273.9
-557.9
-224.17
267.397
278.32
438.42
294.554
164.097
177.643
588.617
624.253
47.848 #
56.024
X
179.2212
240.5
184.131
391.6
166.21850
175.
166.651
381.181
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
384.78 ±3.3
175.395 429.789 29.036 #
322.861
185.266 418.370 29.235
250.340
184.272 426.717 29.373
118.14
178.694 404.153 29.075 #
131.723
181.943 406.323 28.829
-16.807
195.002 447.806 31.880
±2.5
241.500
454.8
#
±150.
343.12
587.58
±30.
376.72
776.41
±15.
±0.8
-313.926
291.327
±8.
674.879
376.488
394.998
24.775 #
N
C13H9N PHENANTHRIDINE
N
C13H10 Fluorene
446
205.189
25.847 #
Table 6 (continued)
C13H10 Phenalene
166.21850
fH298
kJ/mol
189.4
C13H10O Benzophenone
182.21790
63.6
C13H12 BiPhenylMethane
168.23438
164.7
200.4
C13H12 p-BiPhenylMethane
p-C6h5-C6H4-CH3
C13H12 1-Me-2-Ethynyl
Naphthalene
168.23438
146.02
180.4
168.23438
181.75
216.42
C13H12
1-Me-1,2-H-Acenaphthylene
168.23438
102.00
139.
C13H14 PropylNaphthalene
C13H26O2 liq n-Tridecanoic acid
C13H26O2 n-Tridecanoic acid
C13H26O2 Methyl-Dodecanoate
C13H28 n-TriDecane (liquid)
C13H28 n-TriDecane
C14H6(NO2)6 solid HNS
C14H6(NO2)6 HexaNitroStilbene
170.25026
214.34434
214.34434
214.34434
184.36142
184.36142
450.23068
450.23068
76.567
-807.2
-660.235
-623.4
-377.7
-311.5
58.07
238.4
117.516
C14H8 5-EthynylAcenaphthenyl
C14H9 1-Antryl
176.21332
177.22126
453.25
480.2
473.58
504.75
177.22126
478.5
177.22126
488.0
Compound
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
219.636
±8.
167.435 385.909 25.800 #
92.5 ±12.5
189.484
443.111
31.486 #
173.300
430.772
28.786 #
181.845
423.14
30.113 #
±17.
186.907
412.125
29.835 #
±17.
175.629
385.712
27.522 #
193.938
456.288
286.957
313.382
637.985
666.511
32.024 #
X
52.424 #
303.340
661.449
411.150
773.618
X
71.248 #
±20.
±8.
181.900
184.7
403.852
408.7
28.294 #
28.300
503.06
±8.
184.9
408.5
28.300
512.66
±8.
184.2
409.1
28.300 X
O
-580.2
-490.9
-179.251
±0.7
±8.
±15.
±1.6
±1.6
±10.
285.396
X
R
C14H9 2-Antryl
R
C14H9 10-Antryl
R
447
Table 6 (continued)
177.22126
fH298
kJ/mol
458.0
177.22126
177.22126
457.0
456.4
481.56
480.96
±8.
±8.
184.4
184.4
409.5
409.3
28.300
28.300
177.22126
177.22126
450.8
456.2
475.45
480.75
±8.
±8.
183.8
184.3
408.3
409.8
28.200
28.300
C14H10 ANTHRACENE
178.2292
223.
251.67
±10.
184.876
392.664
28.423 #
C14H10 PHENANTHRENE
178.2292
202.2
231.15
±2.3
186.788
394.304
28.137 #
178.2292
194.22860
291.9
33.
320.
±20.
185.949
217.3
418.396
429.78
29.014 #
180.24508
180.24508
181.25302
182.26096
196.37212
196.37212
228.37092
228.37092
228.37092
228.37092
198.3880
198.3880
192.25578
192.25578
136.73
223.3
255.6
135.6
-206.522
-239.2
-834.1
-672.369
-732.6
-657.7
-403.3
-332.1
184.93
195.8
255.957
±10.
±4.
447.878
463.62
477.207
696.218
551.862
Compound
C14H9 1-Phenantryl
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
482.65
±8.
184.1
409.5 28.200
R
C14H9 2-Phenantryl
C14H9 3-Phenantryl
R
C14H9 4-Phenantryl
C14H9 9-Phenantryl
R
C14H10 5-VinylAcenaphthenyl
C14H10O Phenanthrenol (any
loc)
C14H12 solid t-Stilbene
C14H12 trans-Stilbene
C14H13 s-BiBenzyl Radical
C14H14 BIBENZYL
<!>
C14H28 1-Tetradecene
C14H28 CycloTetraDecane
C14H28O2(liq) Myristic acid
C14H28O2
Myristic acid
C14H28O2 (liq) Ethyl Dodecanoate
C14H28O2 Ethyl Dodecanoate
C14H30 (liq) n-Tetradecane
C14H30 n-Tetradecane
C15H12 1-Me-Anthracene
C15H12 4 Me-Phenantrene
448
175.94
-128.536
-149.55
±1.3
±2.3
203.066
208.8
202.411
315.306
264.975
-584.956
±15.
307.636
647.184
-515.7
±15.
±1.8
±1.8
333.465
702.915
323.591
203.843
196.471
702.494
421.630
420.683
-255.47
220.43
232.5
±1.1
X
32.901 #
33.684 #
55.316
43.654 #
X
54.570 #
X
X
65.145 #
31.112 #
29.917 #
Table 6 (continued)
C15H14 9,9-DiMethyl Fluorene
194.27166
fH298
kJ/mol
105.3
C15H16O2 BisPhenol
228.28634
-251.040
-197.048
256.429
489.212
38.236 #
C15H30 1-Pentadecene
C15H30O2(liq) Pentadecanoic
acid
C15H30O2 Pentadecanoic acid
C15H30O2(liq) MethylMyristate
C15H30O2
MethylMyristate
C15H32 (liq) n-Pentadecane
C15H32
n-Pentadecane
C16H9 1-Pyrenyl Radical
210.39870
242.3975
-227.233
-862.4
-147.982
338.151
735.171
63.573
242.3975
242.3975
242.3975
212.41458
212.41458
201.24266
-701.238
-759.4
-662.746
-428.8
-354.8
476.9
-608.971
±8.
327.780
696.299
360.242
731.782
-273.213
501.96
±15.
±2.0
±2.0
±8.
346.226
201.5
741.823
418.9
201.24266
473.8
498.76
±8.
202.0
419.0
30.00
201.24266
479.2
504.26
±8.
201.7
419.2
29.9
202.2506
225.5
254.82
±2.5
202.501
407.507
29.878 #
C16H10 1-EthynylAnthracene
202.25060
444.3
470.5
212.460
440.143
32.937 #
C16H29O2 Palmitoleate Rad. O*
C16H30O2 cis-Palmitoleic acid
C16H31O2 Palmitate Radical O*
C16H32O2 (liq) Palmitic acid
C16H32O2
Palmitic acid
C16H32O2(liq) EthylMyristate
C16H32O2
EthylMyristate
C16H33 2-HEXADECYL Rad.
C16H34 n-HEXADECANE
C16H34O n-Hexadecanol
253.40026
254.40820
255.41614
256.42408
256.42408
256.42408
256.42408
225.43802
226.44596
242.44056
-348.5
-585.342
-475.3
-848.8
-711.698
-802.9
-697.054
-181.67
-374.51
-517.5
-260.537 ±25.
-493.4 ±25.
-380.46 ±12.5
±2.2
-612.164 ±25.
336.544
341.122
343.345
708.254
698.610
714.875
346.926
703.076
60.334 #
60.651 #
61.951 #
X
61.491 #
X
±15.
379.070
366.100
370.284
337.303
769.019
818.976
780.943
705.377
Compound
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
147.061
217.560 426.500 33.318 #
X
59.237 #
X
X
69.705 #
29.9
R
C16H9 2-Pyrenyl Radical
R
C16H9 4-Pyrenyl Radical
R
C16H10 PYRENE
449
-25.09
-213.7
-413.665
±3.2
#
#
61.319 #
Table 6 (continued)
Compound
267.42684
fH298
kJ/mol
192.9
-368.2
-378.6
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
228.6 ±35.
217.515 435.778 32.985 #
±25.
-285.249 ±15.
366.327 740.672 64.495 #
268.43478
268.43478
-605.425
-674.29
-507.259
268.43478
-576.14
Mol. Wgt.
C17H12 1-Methyl Pyrane
C17H31O2 Margaroleate RadO*
C17H31O2 MePalmitolea te-C0yl
C17H32O2 MargarOleic acid
C17H32O2(liq)
MethylPalmitoleate
C17H32O2 cisMethylPalmitoleate
C17H33O2 Margareate Rad O*
C17H33O2 MePalmitate-C16-yl
C17H34O2 Margaric acid
C17H34O2(liq) MethylPalmitate
C17H34O2
MethylPalmitate
C17H36 (liq) n-Heptadecane
C17H36
n-Heptadecane
C18H10 1-Ethynyl Pyrene
216.27718
269.44272
269.44272
270.45066
270.45066
270.45066
240.46774
240.46774
226.27200
-494.967
-492.04
-731.363
-1441.8
-702.075
-479.5
-393.9
456.5
C18H12 Naphthacene
228.28788
C18H12 (s) Triphenylene solid
C18H12 Triphenylene
C18H14 1-EthylPyrene
C18H15N (s) TriPhenylAmine
C18H15N (C6H5)3N
±25.
356.161
724.299
±15.
386.183
835.545
363.591
409.39
366.798
741.763
897.8
729.877
404.174
796.634
-302.349
483.1
±15.
±8.
±8.
±3.8
±25.
±2.4
±2.4
±30.
391.497
229.166
820.482
450.792
X
78.785 #
34.667 #
302.
337.48
±15.
227.829
440.252
34.291 #
228.28788
228.28788
146.5
278.0
312.98
±1.5
±10.
227.580
446.288
X
34.792 #
230.30376
245.31844
245.31844
176.9
235.
327
249.366
490.574
371.585
±3.
±4.2
260.410
523.427
277.42166
278.42960
278.42960
279.43754
280.44548
280.44548
281.45342
250.46256
282.46136
282.46136
282.46136
-132.63
-508.8
-369.45
-258.153
-634.7
-494.97
-388.275
-123.579
-764.8
-624.67
-610.03
±25.
363.702
754.722
±25.
±25.
360.644
367.963
756.212
769.453
-397.1 ±25.
-288.418 ±12.5
-35.485
370.428
374.717
402.668
744.563
776.117
836.131
379.761
409.614
765.174
863.996
-394.08
-625.83
63.913 #
X
65.427 #
65.014 #
X
X
42.224 #
N
C18H29O2 Linolenate Rad. O*
C18H30O2 (liq) α Linolenic acid
C18H30O2
αLinolenic acid
C18H31O2 Linoleate Radical O*
C18H32O2 (liq) Linoleic acid
C18H32O2
Linoleic acid
C18H33O2 Oleate Radical O*
C18H34 1-Octadecyne
C18H34O2 (liq) Oleic acid
C18H34O2
Oleic acid
C18H34O2 EthylPalmitOleate
450
-279.48
-165.4
-520.81
±25.
64.877 #
X
64.700 #
66.170 #
X
65.259 #
67.510 #
74.726 #
X
67.739 #
Table 6 (continued)
C18H34O3 Ricinoleic acid
C18H35O2 Stearate Radical O*
C18H36 1-Octadecene
C18H36O2
Stearic acid
C18H36O2 (liq) Ethyl Palmitate
C18H36O2
Ethyl Palmitate
C18H38 (l) n-Octadecane liquid
C18H38 n-Octadecane
C19H32O2(liq) MethylLinolenate
C19H32O2
MethylLinolenate
C19H34O2(liq) MethylLinoleate
C19H34O2
MethylLinoleate
C19H36O2(liq) Methyl Oleate
C19H36O2
Methyl Oleate
C19H38O2(S) Methyl Stearate
C19H38O2
Methyl Stearate
C19H40 (liq) n-Nanodecane
C19H40
n-Nanodecane
C20H10 Corannulene
298.46076
283.46930
252.47844
284.47724
284.47724
284.47724
254.49432
254.49432
292.45618
292.45618
294.47206
294.47206
296.48794
296.48794
298.50382
298.50382
268.52090
268.52090
250.29340
fH298
kJ/mol
-816.717
-514.63
-289.03
-751.028
-860.2
-736.384
-505.4
-414.55
-472.75
-358.15
-604.88
-485.762
-727.64
-615.885
-945.6
-741.82
-530.9
-435.1
463.712
C20H12 Perylene
252.30928
306.0
C20H12 Benzo[a]Pyrene
252.30928
289.5
C20H14 Alpha BiNaphtyl
254.32516
315.055
395.402
C20H32O2 Arachidonic acid
C20H34O2 Ethyl Linolenate
C20H36O2 Ethyl Linoleate
C20H38O2 Gondoic acid
C20H38O2(liq) Ethyl Oleate
C20H38O2
Ethyl Oleate
C20H39O2 Archidate Rad. O*
C20H40O2(liq) Arachidic acid
C20H40O2
Arachidic acid
C20H40O2 MeNanodecanoate
C20H40O2 (S) Ethyl Stearate
304.46688
306.48276
308.49864
310.51452
310.51452
310.51452
311.52246
312.53040
312.53040
312.53040
312.53040
-342.5
-392.04
-522.58
-689.7
-773.25
-649.775
-554.
-1012.6
-790.36
-763.5
-984.6
-248.
-218.33
-340.4
-573.2
Compound
Mol. Wgt.
451
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-809.985 ±25.
389.473 778.111 69.209
-413.734 ±25.
402.870 833.512 74.937
-193.548
406.768 852.030 75.906
-639.66 ±31.
388.310 765.562 68.705
-556.31
#
#
#
#
X
423.421
-318.039
±25.
±2.7
±2.7
414.132
834.29
696.6
859.812
-193.96
±20.
406.266
868.6
-313.11
±15.
418.400
887.01
-434.76
±15.
430.115
932.195
-552.23
450.617
861.9
-333.627
495.843
±35.
±2.9
±2.9
±7.3
436.810
216.018
898.723
412.967
X
87.906 #
31.264 #
340.0
±0.8
254.201
475.499
37.878 #
254.800
468.700
278.654
513.795
403.402
428.44
445.18
419.352
776.744
889.1
918.39
815.869
452.29
442.784
981.86
890.297
425.56
477.8
820.830
1000.7
X
83.345 #
X
X
X
X
-459.13
-440.4
±60.
±25.
-667.28 ±22.6
70.717 #
74.108 #
X
82.276 #
X
76.037 #
X
Table 6 (continued)
312.53040
282.54748
282.54748
264.31998
fH298
kJ/mol
-775.7
-556.5
-455.8
535.3
C21H12 Sumanene
C21H42O2 Methyl Eicosanate
C21H44 n-Uneicosane
C22H14 Pentacene
326.55698
296.57406
278.34656
-781.153
-476.588
389.000
C22H14 Pentafene
278.35315
345.000
C22H18 (C10H7-CH2-)2
C22H44O2 n-Behenic acid
C22H44O2 EthylEicosanate
C22H46 n-Docosane
C23H46 1-Tricosene
C23H47 1-Ticosenyl radical
C23H48 n-Tricosane
C24CL12 Perchloro-coronene
C24H12 Coronene
282.37832
340.58356
340.58356
310.60064
322.61134
323.61928
324.62722
713.68920
300.35208
279.073
-845.3
-815.043
-497.059
-391.622
-311.290
-517.561
146.6
307.5
146.7
345.262
C24H17 Triphenylbenzene Rad.
C24H18 Triphenylbenzene
305.39898
306.39972
623.2
373.38
432.36
C24H20Pb(S) TetraPhenyl Lead
C24H20Pb
Pb(C6H5)4
C24H46O2 15-Nervonic acid
C24H48O2 n-Lignoceric acid
C25H20 C(C6H5)4
C25H52 n-Pentacosane
C30H10 HalfBuckminsterFullerene
C30H62 n-Triacotane
C32H13 Ovalenyl Radical
515.6156
515.6156
366.62084
368.63672
320.42630
352.68038
370.40040
515.
674.
-771.95
-886.6
393.
-558.56
1139.303
422.81320
397.44562
-662.05
663.541
Compound
C20H40O2
Ethyl Stearate
C20H42 (l) n-Eicosane liquid
C20H42
n-Eicosane
Mol. Wgt.
452
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-576.6 ±50.
467.35
905.
±3.1
X
-349.366 ±3.1
459.403 938.053 92.466 #
573.110
±9.
246.805 443.280 35.122 #
-572.5
-365.16
428.03
495.804
482.039
277.388
924.246
977.299
494.673
282.920
501.187
±35.
±10.
320.9
468.476
512.958
509.193
520.490
528.858
532.205
458.824
262.602
597.89
873.849
962.32
1013.281
1053.531
1075.706
1052.443
803.678
458.935
±15.
323.134
320.200
652.000
604.870
371.099
503.772
507.208
334.652
574.540
323.869
722.859
958.23
944.963
654.026
1130.84
494.466
63.103
90.477
91.171
54.783
1168.575
±15.
±15.
±40.
±40.
±6.3
±10.
±12.
701.746
±10.
±20.
688.34
359.727
1326.55
558.246
#
50.510 #
378.46
-709.5
727.7
-633.69
-740.6
449.2
±35.
±10.
±15.
±35.
±35.
97.023 #
41.423 #
82.404 #
80.264 #
38.331 #
51.514 #
X
#
#
#
#
#
44.674 #
Table 6 (continued)
Compound
C32H14 Ovalene
C57H104O9
GlycerinTriRicinoleate
C60 Buckminster Fullerene
C62H111O9 (L) Castor oil natural
C70 Footballene
JET-A(L)
JET-A(G) (C12H23)
Ca (S) REFERENCE ELEMENT
Ca (gas)
Ca+
CaCO3 (S) Calcium Carbonate
CL
<~>
CL+
CL <~>
CuCl (see under Cu)
DCL
DOCL
CLF
<&>
CLF+ c
CLF- c
CLO3F
CLF3
<&>
ClF5
HCL
<^~>
HCL+
HCL- c
HOCL d
<~>
HOCL+ c
HOCL- c Hypochlorous acid
HCLO2
HCLO3 HO-ClO2
HCLO4 HO-ClO3
HCLH+ Chloroniumd
CLNH2 (see NCLH2)
ICl cr
Mol. Wgt.
398.45356
fH298
kJ/mol
418.4
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
460.8 ±12.
361.353 546.813 50.580 #
-2199.5
X
720.66
2585.7
±105.
560.816
591.403
1000.54
840.77
-2620.6
2652.
±100.
±34.
558.171
589.537
X
#
167.31102 -303.469
167.31102
-211.46
40.07800
0.
0.
40.07800
177.8
177.386 ±0.8
40.07740
773.2
±0.2
100.08690 -1206.600 -1201.223
35.4527
121.302
119.620 ±0.002
35.45215
1378.80 1370.807 ±0.002
35.45325 -233.543 -228.952 ±0.003
350.336
293.494
25.75
20.786
20.786
83.472
21.838
22.959
20.786
448.112
612.539
42.536
154.887
160.650
91.710
165.192
167.558
253.358
†
†
†
†
†
#
†
†
†
29.170
38.585
32.085
192.773
240.321
217.943
64.927
64.061
97.167
29.136
29.146
278.989
282.152
310.257
186.901
193.202
37.264
36.042
236.971
240.932
50.512
63.375
69.774
33.938
281.726
299.446
300.191
206.343
37.4668
53.4662
54.4511
54.45055
102.4493
92.44791
130.44472
36.46094
36.46009
52.46004
52.45949
52.46059
68.45944
84.45884
100.45824
37.46803
51.47532
162.35717
-93.547
-79.539
-55.701d
1171.83
-263.8d
-23.799
-164.6
-238.
-92.31
1143.81
-30.7
-76.149
996.91
187.7d
20.92
-10.878
-0.418
884.6d
-65.537d
453
2660.33
-93.333
-76.648
-55.706
1165.63d
-258.2d
-15.076
-160.5
-229.277
-92.125
1137.794
-25.5d
-73.205
993.784
194.2d
25.94
-3.200
+11.234
881.5d
±0.21
±2.1
±0.063
±0.62
±3.8d
±5.
±7.
±0.006
±0.005
±3.d
±0.028
±3.13
±3.d
±1.67
±1.25
±1.
±1.2d
-36.511d ±0.063
5.783
6.197
6.197
14.480
6.272
6.388
6.197
8.661 †
10.325 †
8.908 †
X
X
13.299 †
13.728 †
17.930 †
8.640 †
8.643 #
X
10.221 #
10.093 #
X
12.531 #
14.166 #
14.532 #
9.949 #
#
X
Table 6 (continued)
Compound
ICL
ClNO c
(see NOCl)
ClNO2
ClONO2 Chloronitrate
CLO
<~>
CLO+c
CLO- c
CLO2 (O=ClO*)
CLOO*
<~>
CLO3
CLO4 radical
CLS
TCl Tritium Chloride
CL2 REFERENCE ELEMEN<^>
CL2+c
CL2-d
Cl2Cu (see under Cu)
CL2NH DicloroAmine
CL2O Cl-O-CL
<~>
CL2O ClClO
CL2O2
CL2O7 ClO3-O-ClO3
CL3Cu3 (See under Cu)
CL3N
(See under NCL3)
Cr(cr) REFERENCE ELEMENT
Cr
CrCl
CrClO
CrClO2
CrCl2
CrCl2O
CrCl2O2
CrCl3
CrCl3O
CrCl4
CrCl5
CrCl6
Cr(OH)6
CrN(s)
CrN
CrO
CrO2
CrO3
CrO3Cr2N(s)
Cr2O3(s)
Cr2FeO4
Mol. Wgt.
162.35717
65.45884
See NO2Cl
97.45764
51.4521
51.45155
67.4515
67.4518
83.45090
99.4503
See SCL
38.469
70.9054
70.9049
70.90595
fH298
kJ/mol
17.39
52.517
22.389
101.7
1156.62
-124.53
99.035
101.671
185.351
272.671
29.466
101.385
1150.58d
-118.62d
101.518
102.712
190.574
279.875
±8.
±0.03
±0.77
±0.12
±6.3
±4.0
±1.67
±8.
68.705
33.804
302.565
233.421
41.921
47.463
56.096
72.691
257.555
276.894
282.289
289.473
14.869 #
9.246 #†
X
X
10.788 #†
12.230 #
12.388 #
14.427 #
-97.424
0
1114.07
-235.88
-88.803
0
1107.90
-230.7d
±8.
±0.2
±1.8d
29.273
33.949
36.417
37.706
196.081
223.082
228.704
222.426
8.672
9.181
9.376
10.283
#
†
#
#
80.569 ±0.67
141.981
±8.
135.345 ±1.25
293.029 ±8.4
47.811
48.845
65.034
118.323
267.951
278.463
295.883
400.922
11.695
12.223
14.273
22.258
#
#†
#
#
#
23.434
20.786
34.684
23.618
174.313
249.790
301.01
309.81
319.36
333.03
329.53
347.03
357.32
371.92
407.16
414.95
368.630
37.711
230.556
239.271
265.575
269.408
277.590
64.921
81.100
141.963
4.057
6.197
9.389
13.574
14.449
15.638
16.784
18.066
19.101
20.049
22.480
26.602
30.878
26.812
7.705
8.778
8.828
10.694
13.040
13.423
(see under NCL2H)
86.90480
78.743
86.90480
140.683
102.9042
131.754
182.90120
275.726
120.36484
51.9961
51.9961
87.4488
122.9015
154.90030
264.71230
154.04014
66.00284
66.00284
67.99550
83.9949
99.9943
99.9949
117.99894
151.9904
223.8348
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
19.029 ±0.01
35.532 247.451
9.549 #
54.419 ±0.065
†
0
0
397.48
395.34
129.9
129.159
-117.9
-310.3
-117.6
-120.00
-336.5
-519.2
-515.35
-283.
-507.8
-396.5
-389.6
-345.3
-344.58
-1016.17 -988.022
-117.152 -116.465
505.009
504.523
188.280
187.849
-108.043
-106
-322.037
-318.00
-738.9 -729.049
-125.520
-1140.6 -1134.766
-1458.12
454
±4.2
±2.7
±9.6
±21.6
±1.7
±22.5
±4.2
±6.1
±3.0
±13.8
+50.
±33.5
±8.4
±20.9
±41.8
±15.
±15.
±34.
±12.6
±8.4
59.00
84.052
143.573
161.489
52.677
30.754
31.321
41.971
58.658
60.322
66.065
120.08
133.69
#
†
†
#
X
X
X
X
#
X
X
X
X
#
#
†
†
#
†
†
#
†
15.300 †
Table 6 (continued)
Compound
Cr3C2(S)
Cr7C3(S)
C6Cr23(S)
Cu (cr) REFERENCE ELEMRNT
Cu
CuCl
CuCl2(S)
CuF
CuF2
CuO
Cu2
Cu3Cl3
D
D+
DDF
DI
HD
HD+
NHD Radical
HDO
HDO2
DN
DOT Deuterium-Tritium Water
DO2
DO2SD
DT Deutherium Tritide D3H
D2 REFERENCE ELEMENT <^>
D2+
D2ND2
D2O
<^>
D2O2
D2S
ND3 Amonia-d3
ELECTRON GAS e<^~>
F
<~>
F+
F- c
HF liquid
HFa
<^~>
HF+a Fluoroniumyld
HF- c
HOF Hypofluorous acid <~>
HOF+
HOF-
Mol. Wgt.
180.0103
400.0057
1267.9763
63.546
63.546
98.99870
134.4520
82.54440
101.54281
79.54540
127.0920
296.9961
2.0141
2.01355
2.01465
21.01251
128.91857
3.02204
3.02149
17.02878
19.02144
35.02084
16.0208
21.02955
34.0129
34.01345
34.0801
5.03015
4.0282
4.02766
4.02875
18.0349
20.0276
36.027
36.0942
20.04901
0.00055
18.9984
18.99785
18.99895
20.00634
20.00634
20.00579
20.00689
36.00574
36.00519
36.00629
fH298
kJ/mol
-85.354
-160.666
-328.444
0.
337.4
91.090
-217.986
-12.550
-266.940
306.270
485.340
-258.270
221.717
1540.320
142.75d
-276.228
26.26
0.319
1496.793
67.66
-245.280
-140.242
(see ND)
-258.588
6.487
-104.796
140.14
-14.456
0
1498.586
235.161
290.762
-249.209
-144.3
-24.047
-145.378
0
79.39
1766.661
-255.31
-302.45d
-272.864
1281.847
-80.08
-87.262
1145.29
145.8d
455
 fH 0
kJ/mol
0.
336.207
91.213
-218.798
-12.217
-265.167
305.863
485.418
-258.510
219.804
1532.210
146.99d
-276.169
28.46
0.328
1490.50
76.778
-242.35
-134.38
-255.647
9.387
-95.713
140.17
-14.526
0
1492.29
241.213
296.930
246.261
-138.61
-21.114
-139.2
0
77.274
1758.165
-250.897
-272.817
1275.62
-74.4d
-84.364
1142.103
152.7d
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
99.326
85.437
209.764 200.999
628.117 612.119
24.440
33.150
5.004 †
20.786 166.399
6.197 †
±1.67
35.262 237.210
9.471 †
71.873 108.516 14.983 †
±16.7
33.380 226.498
9.083 †
±12.55
47.988 267.090 12.056 †
±41.8
35.693 234.621
9.751 †
±12.6
36.585 241.724
9.934 †
±2.09 124.572 429.553 28.724 †
±0.001
20.786 123.352
6.197 †
±0.000
20.786 117.585
6.197 †
±0.002
20.786 117.592
6.197 †
±0.8
29.137 179.705
8.638 †
±0.5
29.321 212.423
8.685 #
±8.3E-5
29.200 143.801
8.509 †
±2.6E-5
29.334 155.552
8.614 †
±8.
35.521 232.424 10.521 #
33.798 199.517
9.926 †
43.779 243.581 11.335 †
±8.
±0.52
±8.
±0.00
±0.6
±0.067
±0.8
±0.058
±0.059
±0.06
±0.17d
±0.06
±0.06d
±2.6
±0.18
±0.87
±3.8d
34.255
35.845
36.041
29.239
29.196
29.195
29.510
30.315
45.729
34.265
45.252
35.795
29.143
20.786
22.747
23.497
20.786
206.587
232.883
227.860
198.212
148.642
144.96
156.735
158.261
243.380
198.342
242.085
215.316
178.409
20.979
158.752
182.644
145.578
9.968
10.065
10.080
8.666
8.589
8.569
8.651
8.714
11.121
9.960
11.563
10.089
8.642
6.197
6.518
6.197
6.197
29.138
29.102
173.783
183.236
8.599
8.676
35.94
34.509
226.757
230.946
10.088
9.977
#
†
†
#
#
†
†
†
#
†
†
†
†
†
†
†
†
X
†
#
X
#
#
X
Table 6 (continued)
Compound
HFH+ Fluoronium
IF Iodine Monofluoride
FNO
see NOF
FNO2
see NO2F
FNO3
see NO3F
FO Fluoroxyl radical
<~>
FO+ c
FO- c Hypofluorited
FO2 O-F-O
<~>
FO2 F-O-O Dioxygenyl
Fluoride
FO2+ F-O-O+
FO2- FOOTF Tritium Fluoride
FW
see WF
F2 REFERENCE ELEMEN<^~>
F2+
F2HF2 FHFc
HF2+ FHF+a
HF2- c FHFHF2+ FFH+ d
HF2- FFH- c
HF2+a
H2F2
F2O
F-O-F
<~>
F2O+ F-O-F+
F2O- F-O-FFFO Fluorosyl fluoride
FFO+ c
FFO- c
F2O2 OOF2
F2O2 F-O-O-F
<~>
F2O2+ F-O-O-F+
F2O2+ F-O-O-F+ cis
F2O2- F-O-O-F- c
F2O3 F-O-O-O-F
F2S2 F-S-S-F
See S2F2
F2S2 SSF2
See S2F2
F2W
See WF2
F3 c
F3+ c
F3- c
H3F3
F3W
See WF3
H4F4
F4W
See WF4
fH298
kJ/mol
778.39d
-94.76
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
775.1d ±1.2d
33.610 191.063
9.931 #
-92.85
33.383 236.138
9.091 #
110.632
1342.39d
-109.05d
523.776
26.93d
±0.15d
±0.81
±0.5
±0.88
±0.26d
31.995
216.396
34.99835
50.9972
50.9972
111.267
1348.55d
-115.07d
521.222
25.4
41.126
44.453
251.289
259.511
50.99665
50.99775
22.01445
1218.85
-258.4
-291.964
1215.2
-251.9
-273.501
±3.1d
±3.1d
40.240
247.719
29.147
183.110
37.99681
37.99626
37.99736
39.00475
0
1513.989 ±0.175
-292.3d ±1.6d
-203.7d ±2.5d
±10.9
-711.53 ±2.30
1175.5d ±2.0d
-477.2d ±3.2d
±10.
-566.5
±4.
26.754 ±0.25d
1292.885 ±0.67d
-194.62 ±3.65
189.2d ±4.8d
1409.3 ±6.14
-53.6d ±6.1d
75.5d ±7.8d
36.597 ±0.38d
1292.9d ±4.5d
1295.7 ±4.7d
-235.6d ±5.6d
116.82 ±7.59
±2.1
±2.1
±13.5
86.3d ±3.7d
1538.5d ±3.4d
-363.3d ±3.2d
-873.
±8.
31.304
33.528
35.581
202.792
210.831
218.211
38.935
229.453
58.132
43.495
40.649
53.280
260.905
247.508
250.062
270.801
62.073
57.747
277.214
279.484
75.661
303.972
56.99521
56.99466
56.99576
60.01903
0
1520.777
-297.7d
-203.8d
1182.8
-720.37
1178.76
-483.77
779.197
-569.924
24.5
1296.48
-200.58
189.53d
1415.81
-59.17d
71.25
32.87
1295.2d
1297.9
-242.
111.32
-322.2
-331.8
-86.19
87.1d
1542.7d
-370.48d
-883.677
50.819
73.884
284.322
280.947
80.02537
-1186.93
104.022
350.016
Mol. Wgt.
21.01373
145.90287
34.9978
39.00529
39.0042
40.01269
53.99621
53.99566
53.99675
53.99621
53.99566
69.99561
69.99561
69.95506
69.95506
85.99500
456
-1174.
±12.
9.388 †
X
X
10.538 #†
11.256 †
10.541 #
X
8.652 #
8.825 †
9.415 #
9.572 #
X
X
10.418 #
X
X
X
13.869 †
10.912 †
10.563 #
13.407 #
X
X
X
X
13.778 †
13.475 #
X
X
16.347 #
#
#
#
X
X
12.254 #
15.263 †
#
21.654 †
#
Table 6 (continued)
Compound
H5F5
F5W
See WF5
H6F6
<^>
H7F7
Fe(a) REFERENCE ELEMENT
Fe
Fe+
FeFeC5O5 (liq) Fe(CO)5 liquid
FeC5O5 Fe(CO)5
FeCL
FeClO(s) Iron Oxychloride
FeCL2(s)
FeCL2
FeCL3(s)
FeCL3
Fe0.947O(s) Wustite
FeO
FeO2 (av OFeO, CyFe(O2),FeOO)
Fe(OH)2(s)
Fe(OH)2
Fe(OH)3(s)
FeS(a)
FeS(G)
FeSO4(s)
FeS2(s) Pyrite
Fe2CL4
Fe2CL6
Fe2O3(S) Solid-A Hematite
Fe2(SO4)3 Solid
Fe3C (S) Solid-A
Fe3O4(S) Solid-A Magnetite
Ge(S) Reference Element
Ge
GeGeBr
GeBr2
GeBr3
GeBr4
GeCl
GeCl2 singlet
GeCl2 triplet
GeCl3
GeCl4
GeH3Cl
GeH4
GeS (solid)
100.03172
fH298
kJ/mol
-1490.19
120.03806
140.0444
55.847
55.847
55.84645
55.84755
195.8955
195.8955
91.2997
107.2971
126.7524
126.7504
162.2051
162.2031
71.8444
71.8464
87.8438
89.85968
89.85968
106.86702
87.911
87.911
151.9086
119.9770
253.5008
324.4062
159.6882
399.8808
179.546
231.5326
72.61
72.61
72.61055
152.5140
232.4180
312.3220
392.2260
108.0627
143.5154
143.5154
178.9681
214.4208
111.08652
76.64176
104.676
-1805.54
-2099.7
0
415.5
1181.144
393.338
-766.09
-727.850
251.036
-410.994
-341.833
-141
-399.237
-253.13
-272.037
251.040
75.55
-574.045
-330.536
-832.627
-101.818
370.767
-928.848
-171.544
-431.370
-654.378
-817.088
-2582.99
25.104
-1118.38
0.
367.8
245.4
137.438
-60.963
-119.031
-291.
69.030
-166.9
102.3
-234.4
-500.9
57.70
90.3
-61.2
Mol. Wgt.
457
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-1475. ±20.
134.161 417.286 28.045 †
#
-1788.
±8.
163.735 486.619 34.334 †
-2080. ±30.
194.438 548.654 40.827 †
0
25.094
27.321
4.507 †
413.128 ±1.3
25.675
180.49
6.850 †
1175.59
26.068 181.859
6.936 †
397.4
25.023
180.2
6.642 †
-787.55 ±7.1
233.785 337.078 52.934 †
-729.521 ±7.1
170.705 439.291 33.145 †
249.76 ±84.
38.223 257.577 10.377 †
-410.497 ±0.92
70.5
82.55 12.940 †
-344.418 ±0.42
76.664 117.947 16.273 †
-141.59 ±2.1
57.571 299.287 14.277 †
-400.399 ±0.84
96.943 147.821 19.441 †
-253.07
±5
77.703 344.210 18.214 †
47.990
57.488
†
251.050 ±20.9
31.406 241.926
8.837 †
77. ±10.
45.581 273.117 11.741 #
±2.9
97.069
87.864
†
-323.09 ±2.1
71.505 283.092 14.209 †
±12.6 101.671 104.600
†
-100.116 ±0.8
50.543
60.312
9.414 †
34.002 252.344
†
-919.338 ±8.4
100.583 120.955 16.769 †
-167.854 ±2.1
62.124
52.915
9.641 †
-433.843 ±4.2
125.876 464.506 29.849 †
-658.268 ±8.4
173.665 536.945 40.448 †
103.763
87.404
†
±1.7
264.722 307.524
†
105.868
104.6
-1112.264
150.791 146.147 24.762 †
0.
23.222
31.090
4.636 †
365.038
±2.
30.733 167.909
7.399 †
249.25
±1.
21.985 180.831
6.981 †
144.470 >±4.2
37.250 257.225
9.864 †
-46.00
±5.
55.757 319.172 14.193 †
-96.164 >±50.
78.139 363.175 18.549 †
-261.29
±6.
101.687 396.195 23.963 †
68.66 ±18.
36.990 245.904
9.599 †
-166.39
±5.
53.806 296.332 13.307 †#
102.525
±5.
54.217 307.835 13.593 #
-233.69
±5.
76.149 338.232 17.700 †#
-498.55
±5.
95.975 348.572 21.150 †#
67.63
±5.
54.795 273.113 11.995 #
101.125
±5.
45.011 217.303 10.748 †#
-61.738 ±1.2
47.767
66.932
8.281 #
Table 6 (continued)
Compound
GeS
GeS2 (solid)
GeS2 linear
Ge2 Digermanium
Ge2S2 cyclo
H
<^!>
H+
HHIa
<^~>
HOIc Hypoiodous acid
HNO
<~>
HNO+ Oxoammoniumyld
HNOHNO2 equil
<~>
HNO2 HONO trans
HNO2 HONO cis Nitrous acid
HNO2+ trans and equil HONO+
Hydroxyoxoamoniumyl
HNO2- trans HONOHNO2- cis-trans equil c
HNO2+ cis
HONO+
HNO2- cis
HONOHNO3 liq
HNO3 Nitric acid
<~>
HNO3+
HNO3- c Hydroxydioxonitrated
HNO4 HOONO2 PeroxyNitric aci
HNO4+ HOONO2+ cation
HN2O2 HN*NO2
HN3O4
OH
<^!>
OH A 2Σ+ (excited)
OH+
OHS-OH
S-OH+
HS=O
HS=O+
HS=OHOT (3HOH) MonoTritium Water
HO2
<!>
HO2+
HO2HO2S
<~>
HO3 HOOO trans/ equil
HOOO cis
OO(H)O
104.676
136.742
136.742
145.22
209.352
1.00794
1.00739
1.00849
127.91241
143.91181
31.01408
31.01353
31.01463
47.01348
47.01348
47.01348
47.01293
fH298
kJ/mol
106.9
-127.8
112.
471.5
107.9
217.998
1536.244
139.031
26.558
-61.5d
106.842
1095.75
70.91
-78.70
-79.19
-77.61d
983.44
 fH 0
kJ/mol
106.809
-127.09
112.18
470.08
108.37
216.034
1528.084
143.246
28.734
-56.8d
109.809
1092.48d
80.038
-73.05
-73.043d
-71.25d
983.74
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±3.
33.701 241.275
9.14 #
±1.
65.700
93.600 12.750 †
±20.
54.622 269.454 13.286 #†
±
41.681 256.453 10.696 †
±7.
76.053 339.490 17.627
±0.001
20.786 114.718
6.197 †
±0.000
20.786 108.948
6.197 †
±1.E-5
20.786 108.961
6.197 †
±0.047
29.157 206.592
8.657 †
±2.1d
X
±0.125
33.880 220.920
9.942 †
±0.7d
34.456
223.64
9.982 #
±1.13
34.539
228.54
9.979 #
±0.6
46.320 254.071 11.597 #†
±0.077
44.646 248.087 10.912 #
±0.39d
X
±1.58
43.076 251.006 10.748 #
47.01403
47.01403
47.01293
47.01403
63.01288
63.01288
63.01233
63.01343
79.01228
79.01173
See after
See after
17.00734
17.00734
17.00679
17.00789
49.07334
49.07279
49.07334
49.07291
49.07389
20.02339
33.00674
33.00619
33.00728
65.07274
49.00614
49.00614
49.00614
-116.90
-117.39
1014.71
-118.54
-173.26d
-134.3
1026.247
-201.66
-56.923
919.648
N2O
N3H
37.3
430.5
1299.213
-145.256
-6.694
969.3
-21.757
943.589
-147.265
-251.161
12.296
1113.774
-97.677
-235.622
27.82d
29.1d
294.2d
-106.678
-107.7d
1014.933
-107.587
-178.98d
-124.58
1029.193
-191.2d
-46.213
921.672
±1.88
±1.87
±1.76
±1.87
±0.19d
±0.2d
±0.692
±2.85
±8.
±8.
54.990
271.559
43.505
52.770
251.770
265.574
54.092
57.868
266.816
284.430
72.419
79.431
296.754
322.436
13.224 #
X
10.828 #
12.494 #
X
11.876 #
12.446 #
X
15.219 #
17.462 #
37.1
425.189
1292.987
-139.091
-3.857
959.8
-18.825
934.161
-132.091
-248.237
15.208
1110.565
-88.811
-230.676
32.67
34.2d
300.1d
±0.3
29.886
29.153
29.196
29.141
36.704
35.532
35.699
35.192
37.486
33.682
34.893
33.515
37.720
50.609
51.174
50.155
183.737
179.131
182.746
172.542
239.812
233.034
241.683
235.185
237.488
202.150
229.106
225.293
226.610
282.497
265.654
262.776
8.813
13.887
8.603
8.606
10.149
10.044
10.055
10.019
10.207
9.934
10.002
9.926
10.245
12.380
12.408
12.036
Mol. Wgt.
458
±0.042
±0.036
±15.
±2.
±15.
±8.
±8.
±8.
±0.25
±0.11d
±0.39d
±8.
±0.74d
±1.1
±1.3d
#
#
†
†
#
#
#
#
#
#
†#
#
†#
#
#
#
X
Table 6 (continued)
Compound
HO3+ equil HOOO+ equil
HO3+ cis HOOO+c
HOOO- cisd
OO(H)O+d
OO(H)O-d
HSO3
HO-SO2
HPO
HPO2 HOPO
HPO3 HOPO2
HPb
See PbH
HPt
See PtH
SH
<~>
SHHS2 Hydrothiosulpheno Radical
HT
H2 REFERENCE ELEMEN<^!>
H2+
H2H2O(cr) c *Ice. Values at 273.15 K
H2O(L)
H2O
<^!>
H2O+
H2PO HPOH
H2O2(L)
H2O2
<!>
H2O2+ trans
H2O2+ cis
H2O3 HOOOH trans
H2O3 cis c HOOOH cis
H2O3+ HOOOH+
H2O3+ HOOOH+ trans c,d
H2P2
H2S
<^~>
H2SO4(L)
H2SO4
H2S2 HS-SH
H2S2 H2SS
H3+ Trihydrogen Cation
H3O+ Hydronium Cation
H3O2- HOHOHTrihydrogendioxide
H3O2+ H2OOH+
Hydroperoxonium
H3PO HOPH2
H3PO
H3PO3 gas (P(OH)3)
H3PO3 O=PH(OH)2
49.00559
49.00559
49.00669
49.00559
49.00669
81.07214
47.9811
63.98050
79.97990
fH298
kJ/mol
1067.61
1083.3d
-131.8d
1296.9d
16.1d
-353.87
-93.7
-468.6
-713.79
33.07394
33.07449
65.13994
4.02399
2.01588
2.01533
2.01643
18.01528
18.01528
18.01528
18.01473
48.98904
34.01468
34.01468
34.01413
34.01413
50.0140
50.0140
50.01353
50.01353
63.96340
34.08188
98.07948
98.07948
66.14788
66.14788
3.02327
19.02267
35.02317
141.87
141.212
-86.574
-80.377
104.60
107.145
-16.782
-16.788
0
0
1494.677 1488.365
311.68
317.725
-292.74**
-286.3
-285.83 -286.922
-241.826 -238.922
981.806
978.491
-102.1
-94.6
-187.778
-193.58
-135.88
-129.89
895.122
894.847
930.50
930.225
-90.49
-81.39
-81.4d
-72.84d
926.42
929.544
925.6d
928.6d
117.57
125.773
-20.6
-17.67
-813.989 -811.975
-732.7
-720.85
15.500
21.243
123.43
1112.89d 1110.304d
603.417
604.215
-500.d
-486.2d
Mol. Wgt.
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
1067.736 ±1.85
44.833 248.879 10.931
1083.4d ±1.8d
44.295 248.749 10.862
-122.0d ±1.6d
55.815 269.157 13.471
1297.5d ±1.6d
27.7d ±1.4d
-346.055
±8.
62.090 300.731 13.851
-89.9 ±4.2
35.829 235.683 10.065
-461.7 ±6.3
48.874 270.179 11.409
-704.02 ±8.4
60.383 282.465 12.841
±0.52
±0.12
±10.46
±8.
±1.10-5
±2.94
±0.03
±0.03
±0.03d
±0.033
±6.3
±0.08
±0.64d
±0.621
±1.03
±0.9
±0.92d
±1.82
±1.82
±6.3
±0.5
±0.67
±2.0
±2.1
±4.2
±0.013
±0.61d
±1.5d
#
#
#
X
X
#
#†
#
#
#
#
#
†
#
#
†
†
#†
†
†
†
†
#
†
#
#
#
#
#
#
X
#
†
†
#
32.446
29.146
39.703
29.165
28.836
29.289
29.556
*38.113
75.351
33.588
33.683
53.345
89.328
42.416
38.931
38.929
55.668
55.670
53.370
195.751
186.638
253.304
144.743
130.681
142.370
143.747
41.327*
69.939
188.829
195.378
257.638
109.604
234.542
243.420
243.416
254.289
254.286
257.431
9.274
8.646
10.484
8.524
8.468
8.583
8.621
45.881
34.255
138.584
90.235
48.745
248.993
205.817
156.895
311.333
251.070
10.986
9.958
28.226
18.391
11.549
33.271
35.485
147.528
193.139
X
9.916 #
10.046 †
X
13.278
9.934
9.934
10.711
22.949
11.162
11.226
11.225
12.388
12.387
12.167
35.02207
734.6d
738.7d
±1.3d
44.091
241.703
10.943 #
49.99698
49.99698
81.99578
81.99578
-210.0
-215.5
-771.02
-820.754
-198.9
-203.5
-755.56
-804.3
±6.3
±6.3
±8.
±8.
48.348
41.660
84.344
75.978
257.214
233.866
312.678
307.665
11.230
10.441
15.622
14.635
459
#
#
#
#
Table 6 (continued)
Compound
H3PO4(S) Orthophosphoric acid
H3PO4(g) Orthophosphoric acid
H4O2c (H2O)2 Water dimer
H4P+ Phosphonium
H4P2
He REFERENCE ELEMENT<^~>
He+
He++c
HeH+
Hg(cr,L) REFERENCE ELEMENT
Hg (gas)
<&>
HgBr2 (solid)
HgBr2 (gas)
<&>
HgCl (gas) Calomel
HgCl2 (solid)
HgCl2 (liquid)
HgCl2 (gas) from 1500 K and up
HgO (solid)
Hg(N3)2
Hg2N6 (solid) N3-Hg-Hg-N3
Hg2N6 N3-Hg-Hg-N3
I Iodine
<~>
I+
IHI See under H
INO2 NITRO-IODINE
IO
<~>
IO+ c
IO- c
IO2 O-O-I
IO2 O-I-O
IO3
TI Tritium Iodide estimated
I2 (cr) REFERENCE ELEMENT
I2 gas
<^~>
I2+ c
I2- c
I2O I-I-O
I2O I-O-I
Ir (solid) REFERENCE ELEMEN
Ir (gas) Iridium
K(S) REFERENCE ELEMENT
K (gas)
<~>
K+
<~>
KKNO3(S)
KNO3
Mol. Wgt.
97.99518
97.99518
36.03056
35.00497
65.97928
4.00260
4.00205
4.001505
5.009993
200.5900
200.5900
360.3980
360.3980
236.0427
236.0427
236.0427
271.4954
216.5894
485.22044
485.22044
126.90447
126.90392
126.90502
172.91001
142.90387
158.90327
158.90327
174.90267
129.92052
253.80894
253.80894
269.80834
269.80834
192.217
192.217
39.09830
39.09830
39.09775
39.09885
101.10320
101.10320
±
S298
Cp298
H298-H0
fH298
 fH 0
kJ/mol
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
-1284.49 -1266.046
106.064 110.544 16.980 †
-1118.71
-1100.5
±8.
95.715 327.316 17.211 #
-499.63
-492.22d ±0.11
X
See
PH4+
#
20.5
34.338 ±8.4
62.582 267.254 13.820 #
0
0
20.786 126.154
6.197 †
2378.519 2372.322 ±0.001
20.786 131.915
6.197 †
7635.23 7622.839 ±2.4E-5
X
1357.834 1353.391
±8.
29.101 152.362
8.676 #
0
0
27.978
76.028
9.343 †
61.38
64.53 ±0.04
20.786 174.972
6.197 †
-175.31
75.312 170.314
†
-91.312
-73.107
60.277 320.227 15.658 †
78.45
36.34
260.0
-230.12
X
-213.22
X
-146.29
-90.789
-86.210 ±0.1
44.062
70.270
9.104 †
556.5
X
592.8
X
642.4
666.84
129.253 443.266 28.607 #
106.76
107.161 ±0.002
20.786 180.789
6.197 †
1121.345 1115.548 ±0.006
20.786 182.644
6.197 †
-194.594 -187.996 ±0.039
20.786 169.262
6.197 †
†
60.25
67.349 ±4.2
55.366 289.237 12.514 #
126
±18
33.117 239.835
1070.3
±1.9
X
-110.555
±1.1
X
116.5
118.973 ±40
48.727 296.374 12.806 #
159.3
162.717 ±25
46.697 281.231 11.861 #
241.9
248.013 ±50
61.56 292.975 13.505 #
17.369
27.968 ±0.5
29.738 215.799
8.701 #
0.
0.
54.440 116.139 13.196 †
62.417
65.495 ±0.004
36.887 260.687 10.116 †
966.6
±0.02
X
-186.914
±0.46
X
106.7
110.545 ±40
52.359 330.647 13.691 #
119.5
123.899 ±25
51.874 308.111 13.137 #
0.
0.
24.999
35.480
5.263 #
670.001
669.068
20.786 193.585
6.197 #
0
0
29.6
64.680
7.088 †
89.0
89.82 ±0.4
20.786 160.342
6.197 †
514.0
508.7 ±0.4
20.786 154.578
6.197 †
34.418
41.5
20.786 154.579
6.197 X†
494.0
-488.31 ±0.5
95.060 132.900
†
-315.833
-307.31
68.358 311.473 15.917 †
460
Table 6 (continued)
Compound
KO
<~>
K2+
K2CO3
K2O
K2O2
Kr REF ELEMENT
<^>
Kr+
KrF2
KrH+
Mg (S) REFERENCE ELEMENT
Mg(L)
Mg (G)
<&>
Mg+
MgAl2O4 (S)
MgAl2O4 (L)
MgB2(s)
MgB2 g
MgBr
MgBr2(S)
MgBr2(L)
MgBr2
MgCO3(S) Magnesium Carbonat
MgCl
<&>
MgCl+
MgClF
MgCl2 (S)
MgCl2(L)
MgCl2
<&>
MgF
<&>
MgF+
MgF2(S)
MgF2(L)
MgF2
<&>
MgF2+
MgH
MgOH
MgOH+
MgH2 (S)
Mg(OH)2(S)
Mg(OH)2 gas
MgI
MgI2(S)
MgI2(L)
MgI2
MgN
MgO(S)
MgO(L)
Mol. Wgt.
55.09770
78.19605
138.2055
94.19600
110.19540
83.8
83.79945
121.79680
84.8074
24.30500
24.30500
24.30500
24.30445
142.26568
142.26568
45.9270
45.9270
104.2090
184.1130
184.1130
184.1130
84.31390
59.75770
59.75715
78.75610
95.21040
95.21040
95.21040
43.30340
43.30285
62.30181
62.30181
62.30181
62.30126
25.31294
41.31234
41.31179
26.32088
58.31968
58.31968
151.20947
278.11394
278.11394
278.11394
38.31174
40.30440
40.30440
fH298
kJ/mol
64.733
524.66
-871.65
-74.09
-191.566
0
1356.954
65.689
1110.91d
0
4.79
-147.10
891.047
-2299.11
-2106.53
-92.0
??834.511
6.163
-526.0
-490.41
-306.743
-1096.
-54.705
640.196
-569.02
-644.3
-601.58
-399.170
-232.267
516.868
-1124.2
-1072.35
-735.498
582.692
229.786
-132.429
615.769
-75.7
-924.35
-551.996
61.206
-370.
-342.25
-171.706
288.7
-601.6
-532.61
461
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
66.68 ±20.
35.352 241.198
9.481 †
521.778
38.133 259.959 10.861 X†
-862.9 ±20.
89.939 345.508 19.516 †
-69.429
54.180 286.548 13.858 †
-185.0
70.589 306.461 16.290 †
0
20.786 164.086
6.197 †
1350.76 ±0.001
20.786 175.613
6.197 †
68.243
54.139 253.909 12.468 #
1106.50d ±0.70d
X
0
24.775
32.535
4.979 †
†
145.90 ±0.8
20.786 148.649
6.197 †
883.65 ±1.3
20.786 154.412
6.197 †
-2332.17 ±1.3
116.198
88.692 64.480 †
†
-91.392 ±8.4
47.823
35.982
6.799 #
830.605
±8.
45.514 250.119 11.313 #
13.814 ±20.
35.664 244.976
9.588 †
-512.0 ±2.5
73.219
117.0 15.500 †
†
-292.0 ±10.
58.550 296.432 14.757 †
-1088.58
±3.
76.108
65.090 11.630 †
-54.498
±6.
34.837 233.423
9.363 †
640.196 ±84.
35.447 228.559
9.516 †
±21.
49.912 265.994
-643.910 ±0.7
71.384
89.620 13.770 †
†
-398.91
±5.
56.548 272.242 13.901 †
-231.844 ±10.
32.580 221.097
8.969 †
511.093 ±38.
32.606 215.334
8.969 †
-1120.3 ±1.3
61.587
57.200
9.920 †
†
-734.316 ±16.7
52.293 247.556 12.622 †
577.884 ±20.9
52.450 258.148 12.415 †
230.317
±6.
29.587 193.197
8.682 †
-130. ±12.
46.497 232.622 11.124 †
612.937
±
43.216 220.827 10.188 †
-67.563
±2.
35.35
31.1
5.31 †
-935.76 ±2.1
77.111
63.180 11.410 †
-547. ±20
80.668 271.597 17.132 †
63.042 ±20.
36.078 252.815
9.741 †
-368.825 ±2.0
74.475
134.0 17.000 †
†
-168.825 ±15.
59.364 313.820 15.294 †
289.02 ±25.1
32.733 224.838
8.989 †
-597.441 ±0.3
37.237
26.950
5.160 †
†
Table 6 (continued)
Compound
MgO
MgS(S)
MgS
MgSO4(S) II
MgSO4(L)
MgSiO3 (S)
MgSiO3 (L)
MgTiO3(S)
MgTiO3(L)
MgTi2O5(S)
MgTi2O5 (L)
Mg2
<&>
Mg2F4
Mg2SiO4(S)
Mg2SiO4(L)
Mg2TiO4(S)
Mg2TiO4(L)
Mg3N2 (S) cubic
Mn (cr) Reference Element
Mn
MnO (S)
MnO2(S)
Mn2O3 (S)
Mn3O4 Solid-A
Mn5N2(S)
MnS Solid
MnS2 (S)
Mo(cr) REFERENCE ELEMENT
Mo
MoC Solid-C
MoO2 Solid
MoO2
Mo2C(S)
N
<^~>
N+
<^>
NNBrH2
NBr2H DiBromoImide
NBr3
NCLH2
NCL2H
NCL3
ND
NHD Radical
ND2
ND2H
ND3
Mol. Wgt.
40.30440
56.37100
56.37100
120.36860
120.36860
100.38870
100.38870
120.18320
120.18320
200.06200
200.06200
48.61000
124.60361
140.69310
140.69310
160.48760
160.48760
100.92848
54.93805
54.93805
70.93745
86.93685
157.8743
228.81175
302.70373
87.00405
119.07005
95.94
95.94
107.951
127.9388
127.9388
203.891
14.00674
14.00619
14.00729
95.92662
174.82268
253.71874
51.47532
85.92008
120.36484
16.0208
17.02878
18.0349
19.04288
20.04901
±
fH298
 fH 0
kJ/mol
kJ/mol kJ/mol
32.261
32.671 ±25.1
-348. -346.939 ±4.2
120.649
120.806 ±30.
-1288.8 -1277.45 ±20.9
-1246.59
-1548.92 -1539.813 ±4.2
-1494.86
±20.9
-1562.24 -1552.74 ±6.3
-1497.63
±6.3
-2491.14 -2477.25 ±10.5
-2382.31
±8.4
276.555
276.971 ±0.06
-1718.37
-1711.9 ±37.7
-2163.93 -2150.67 ±4.2
-2113.88
±20.9
-2164.35 -2151.048 ±6.3
-2046.33
-461.300 -448.183
±2.
0.
0.
282.40
281.197
±2.
-385.221
-520.029
-959.002
-1387.8
-204.2
-214.2
-223.844
0
0
658.5
656.888
±2.
-28.451
-588.94
-8.314
-53.137
472.68
470.818 ±0.024
1881.903 1872.924 ±0.024
485.27
489.304 ±4.10
83.638
98.190
±8.
200.999
221.415
±8.
316.310
341.044
±8.
55.438
62.472
±8.
142.453
148.242
±8.
228.237
231.594
±8.
355.739
355.710
±8.
178.165
181.106
±8.
181.937
184.878
±8.
-52.748
-45.684
-54.501
-47.546 ±0.4
462
S298
Cp298
H298-H0
J/mol/K J/mol/K kJ/mol
32.111 213.318
8.909 †
45.560
50.330
8.330 †
34.237 225.448
9.234 †
96.399
91.600 15.400 †
†
81.927
67.768 12.113 †
†
91.881
74.59
3.240 †
†
146.858 135.603
5.363 †
†
24.199 240.843
9.542 †
107.502 337.018 21.143 †
118.688
95.140
4.130 †
†
128.574 115.102 18.836 †
†
92.049
85.00 10.500 †
26.280
31.920
4.980 X
20.786 173.718
6.197 †
44.102
59.71
54.415
53.049
99.034 110.499
140.515 155.599
175.724 187.443
49.943
78.199
70.075
99.914
23.933
28.605
4.585 †
20.786 181.953
6.197 †
30.878
36.652
55.982
46.275
34.002 252.344
60.207
65.814
20.786 153.302
6.197 †
21.285 159.799
7.117 †
21.009 159.930
6.498 †
40.293
252579 10.511 #
53.164 299.353 12.673 #
72.068 333.337 16.382 #
39.112 241.148 10.360 #
50.518 276.325 11.961 #
68.029 298.775 14.749 #
29.159 187.234
8.648 †
33.703 205.600
9.912 #
34.415 204.335
9.962 †
35.976 209.279 10.074 #
38.225 203.931 10.234 †#
Table 6 (continued)
Compound
NF
NF2
NF3
<&>
NH
<~>
NH singlet excited c
NH triplet only
NH+ Aminyliumyld
NHNHF
NHF2
NOH Hydroxyimidogen
NOH+ Hydroxyaminiumyl
NOHHOONO Peroxynitrous acid
NH2 AMIDOGEN RADICAL<~>
NH2+ Aminylium
NH2- Amide
NH2D
NH2F
NH2O* Nitroxyl
H2NO+c
H2NO-c
HNOH trans & Equil
Hydroxyamidogend
HNOH cis
HNOH+ trans
HNOH+ cis
HNOH- Hydroxyamidogen
NH3 AMONIA RRHO calc <^~>
NH3 AMONIA Anharmonic calc
NH3+ cation
NH3- c
NH2OH cr
NH2OH Hydroxyl Amine trans
NH2OH Hydroxyl Amine cis
NH2OH+ Hydroxyl Amine cation
NH4+ AMONIUM ION
NH4Br crystal
NH4Cl crystald
NH4CLO4(I)
NO
<^~>
NO+
NO- Oxonitrate anion
NOCL
<^>
NOF
NOF3
NO2
<^~>
33.00514
52.00355
71.00195
15.01468
15.01468
15.01468
15.01413
15.01523
34.01308
53.01149
31.01408
31.01353
31.01463
63.01288
16.02258
16.02207
16.02316
18.03672
35.02102
32.02202
32.02147
32.02257
32.02202
fH298
kJ/mol
232.99
34.421
-131.7
358.792
509.39
358.79d
1665.795
316.797
112.0
-103
214.51
1163.44
224.03
-12.76d
186.2
1269.973
105.910
-48.697
-75
64.730
945.38
36.12
100.9c
 fH 0
kJ/mol
233.
37.000
-125.98
358.76
509.342
354.74d
1658.98d
322.942
114.952
-96.413
217.414
1160.18
232.7653
-6.13d
189.1
1266.648
114.987
-41.627
-67.889
71.385d
946.32d
49.3d
101.54d
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±3.
30.228 212.908
8.738 †
±5.
41.058 249.638 10.582 †
±1.
53.497 260.812 11.855 †
±0.17d
29.193 181.227
8.601 †
±0.18
29.147 177.867
8.617 #
±0.17d
±0.25d
32.775 187.651
9.495 †
±0.17d
29.155 172.482
8.621
±15
35.234 230.806 10.030 †
±15
43.384 252.814 10.807 †
±0.93
34.989 230.932 10.006 #
±1.43
34.380 255.511
9.973 #
±2.4
38.421 230.823 10.371 #
±0.38d
64.323 280.522 14.302 #
±0.15d
33.663 194.868
9.911 #
±0.169
33.609 189.481
9.931 #
±0.34d
33.460 189.662
9.924 #
35.157 205.591 10.018 #
±15.
36.474 229.534 10.105 †
±0.85d
39.380 233.544 10.488 #
±0.84d
34.901 224.785
9.993 #
±1.8d
37.347 228.416 10.167 #
±0.98d
38.237 233.511 10.256 #
32.02202
32.02147
32.02147
32.02257
17.03056
17.03056
17.03001
17.03111
33.02996
33.02996
33.02996
33.02941
18.03795
97.9425
53.4912
117.4888
30.00614
30.00559
30.00669
65.45884
49.00454
87.00135
46.00554
116.99
1019.22
1048.3
79.15
-45.567
-45.567
943.294
25.2d
-107.50
-43.95
-25.23
854.33
637.9d
-270.333
-314.553
-295.767
91.271
990.807
81.988
52.524
-65
-187
34.193
123.586
1020.174
1049.243
91.2d
-38.513
-38.946
944.04
38.3d
±1.31
±1.87
±2.0d
±2.05
±0.03
±0.03
±0.03
±2.8
±0.65
±0.49d
±1.41
±1.75
±0.21d
±0.15d
±0.063
Mol. Wgt.
463
-33.809
-14.618
858.071
642.995
-253.756
-311.389
-277.78
90.767
984.453d
83.208
54.425
-62.633
-178.78
37.0
±0.064
±0.064
±0.12d
±0.5
±2.0
±7.
±0.07
40.147
34.929
35.112
44.952
34.597
35.630
36.034
36.089
234.976
225.030
225.166
234.457
192.475
192.770
198.847
200.301
10.547
9.991
10.002
11.171
9.984
10.043
10.094
10.067
46.472
42.636
45.881
34.764
88.676
86.441
128.072
29.862
29.123
62.889
44.623
41.530
68.067
37.177
236.181
233.768
241.982
186.095
112.842
94.860
184.18
210.748
198.234
243.512
261.590
248.224
277.731
240.171
11.236
10.765
11.439
9.979
16.954
22.698
25.238
9.179
8.670
13.653
11.364
10.720
13.698
10.208
#
#
#
#
#
†
#
#
X
†#
#
#
#†
#
†
†
†
†
#
†
†
†
†
Table 6 (continued)
Compound
NO2+ ONO+
NO2N(OO) cyclo
<~>
N(OO)+ cyclo
N(OO)- cyclo
NOO Peroxyimidogend
NOO+
NOONO2CL
NO2F
NO3
<~>
NO3+
NO3- Nitrate
NO3Cl (See ClNO3)
NO3F
NS
see SN
NT
NT3 Tritium Amonia (N3H3)
N2
Reference Element <^!>
N2 excited, singlet
N2+
N2N2D2 Cis
N2F2
N2F4
N2H Diazenyl
<~>
N2H+ Diazenylium
N2HN2H2 equil cis.trans iso 1,1 <~>
N2H2 cis Z-Diazene cis
H2NN Isodiazene
H2NN+ Isodiazene cation c
H2NN- Isodiazene anion c
HNNH+ trans E-Diazene
HNNH+ cis
HNNH- trans E-Diazene
HNNH- cis
HNNH- equil
H2NN=O
NH2NO2 NITRAMIDE
H3N2 HYDRAZINE RAD
<~>
N2H3+
N2H3N2H4(L) Hydrazin liq
N2H4 HYDRAZIN
<~>
N2H4+
N2H4- Hydrazin anion
46.00499
46.00609
46.00554
46.00499
46.00609
46.00554
46.00499
46.00609
81.45824
65.00394
62.00494
62.00439
62.00549
fH298
kJ/mol
964.409
-191.518
351.69
1364.94
286.43
410.20
1408.9
154.11
12.5
-109
74.628
1292.57
-312.185
 fH 0
kJ/mol
961.75d
-182.482
354.309
1361.38
295.469
412.246
1405.34
162.726
17.901
-102.92
79.35d
1291.2
-299.405
81.00334
15.
22.324
±3.
66.959
293.171
#
†
#
#
#
#
#
#
†
†
†
#
†#
#
14.444 †
17.0227
23.0548
28.01348
28.01348
28.01293
28.01403
32.0416
66.01029
104.00709
29.02142
29.02087
29.d02197
30.02936
30.02936
30.02936
30.02881
30.02991
30.02881
30.02881
30.02991
30.02991
30.02991
46.02876
62.02816
31.03730
31.03675
31.03785
32.04524
32.04524
32.04469
32.04579
519.487
-76.178
0
99.73
1509.509
189.84
202.857
62.374
-22
249.484
1045.33d
168.87
200.219
222.465
300.938
1144.42
374.07
1131.88
1156.7
256.24
271.42
256.29
82.199
-26.000
224.856
964.58
236.8d
50.78d
95.18
879.85
190.83
519.377
-69.32
0
99.73
1503.310
196.033
209.788
67.
-13.491
252.415
1042.75d
176.669
207.36
229.620
308.022
1145.265
387.310
1132.65
1157.3
269.353
284.179
269.353
91.592
-12.346
235.594
969.665
252.9d
57.34d
109.337
887.768
210.9d
±8.
±8.
29.208
39.222
29.124
29.125
29.137
29.194
39.025
56.569
88.384
34.358
190.701
209.142
191.607
197.375
197.663
204.539
224.095
268.216
317.531
224.507
8.652
10.331
8.670
8.670
8.671
8.674
10.308
12.869
17.812
9.973
44.952
35.045
34.780
35.747
36.424
36.424
37.500
39.195
37.960
40.324
37.960
50.568
56.672
42.496
36.691
46.079
98.839
48.43
50.089
47.923
233.124
218.333
218.417
218.155
224.153
237.522
222.857
223.35
226.896
228.638
226.896
249.708
268.548
236.791
227.297
237.044
121.545
238.466
234.629
240.775
11.402
9.997
9.983
10.054
10.095
10.095
10.173
10.310
10.223
10.577
10.223
12.085
12.164
10.634
10.090
11.403
Mol. Wgt.
464
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±0.2
37.791 236.935 10.318
±0.47
37.215 236.241 10.177
±1.47
39.519 243.941 10.396
±1.94
39.288 237.329 10.378
±1.6
37.049 237.163 10.173
±1.7
42.673 252.496 10.970
±3.63
39.287 243.090 10.378
±1.6
40.910 245.695 10.597
±1.
53.246 272.128 12.205
±20
48.999 259.287 11.347
±0.19d
46.935 252.623 10.959
±0.86d
52.621 255.193 12.519
±0.61d
44.724 245.638 10.733
5.5104
±2.11
±10
±10
±0.74d
±0.74d
±2.12
±0.543
±0.81
±0.81d
±1.46
±1.71
±0.72
±1.29
±1.62
±1.62
±1.62
±8.
±10
±0.91.
±1.13
±2.4
±0.18d
±0.2d
±2.36
±3.60
11.449
11.491
11.579
#
#
†
†
#†
†#
†
†
#
X
#
#†
#
#
#
#
#
#
#
#
#
#
†
#
#
#
†
†
#
#
Table 6 (continued)
Compound
Mol. Wgt.
NH4NO3 (solid)
NH4NO3 gas
N2O (NNO) Nitrous oxide <^~>
N2O+
N2O- NNO- c
N2O O(NN) cyclo c Oxadiazirine
(NN)O+ cyclo cation
(NN)O- cyclo anion c
NON
NON+
NON-c
O=N-N=O cisd
HN2O2 HN*NO2
N2O3 O=N-NO2
N2O3+ O=N-NO2 N Sesquioxide
N2O3+
N2O3- O=N-NO2N2O3 ONONO Nitrosyl nitrite
N2O3- ONONON(O3)N
N2O4 liq O2NNO2 liq
N2O4 O2NNO2
<^>
N2O4 ONONO2 cis
N2O5 O2NONO2
N3 AZIDE RADICAL
N3+
N3N3D Azidic Acid-d
N3H (s) Azidic Acid c
N3H AZIDIC ACID
N3H+
N3H- c
HN3O4 HN(NO2)2
N4 chain N=N-N=N
N4 tetrahedral
80.04344
80.04344
44.01288
44.01233
44.01343
44.01288
44.01233
44.01343
44.01288
44.01233
44.01343
60.01228
61.02022
76.01168
76.01113
76.01113
76.01223
76.01168
76.01222
76.01168
92.01108
92.01108
92.01108
108.01048
42.02022
42.01967
42.02077
(see DN3)
43.02816
43.02816
43.02761
43.02871
107.02576
56.02696
56.02696
N4 Cyclo Tetrazete
N4+ Cyclo
N4- tetrahedral
N4H4 NH4N3 (cr)
N4H4 NH4N3 (g)
N4H4O4 NH4N(NO2)2 solid
N4H4O4 NH4N(NO2)2 gas
Na(cr) REFERENCE ELEMENT
Na(g)
<^>
Na+
NaCN (cr,l)
see CNNa
56.02696
56.02641
56.02751
124.06
124.06
22.98977
22.98977
22.98922
49.00721
fH298
kJ/mol
-365.22
-230.6
81.6
1333.399
91.52
350.62
1516.52
93.84
540.58
1450.5d
489.35
171.06d
182.966
86.631
1033.8d
1036.847
-113.1d
86.1d
-110.16
593.3
-27.10d
10.785
51.78
15.437
449.924
1523.1
184.38
 fH 0
kJ/mol
-350.26
-211.195
85.029
1329.146
100.3
352.54
1512.823
99.7d
542.5
1444.1d
498.1d
172.82d
191.009
91.2
1031.0
1033.763
-103.0d
91.2d
-100.8]d
602.76
-37.96d
19.4
61.421
25.010
453.358
1519.52
194.228
261.701
291.826
298.118
1334.177 1333.176
304.8d
317.3d
109.491
125.715
686.6
684.814
759.425
766.849
[757.4]d
[763.9]d
763.55d 761.478d
1804.777
1803.46
752.592
764.147
114.14
179.7
Doubtful
-149.8
Does not existingas
0.
0.
107.5
107.763
609.34
465
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
±0.19 139.080 150.810 23.662 †
±3.
93.110 330.093 19.221 #
±0.1
38.628
220.01
9.581 †
±0.12d
42.263 233.859 10.623 †
±2.2d
X
±1.69
42.696 240.866 11.091 #
±2.66
40.254 242.751 10.509 #
±2.54
40.746 244.447 10.570 #
±1.76
42.693 240.863 11.090 #
±2.7
40.253 242.749 10.509 #
±2.7d
38.675 241.062 10.358 #
±0.14d
58.897 282.895 14.597 #
±100.
60.386 287.102 13.541 #
±0.15d
72.733 314.736 17.121 †
±4.1d
X
±8.99
76.843 320.915 18.577 #
±2.9d
X
±1.6d
72.612 294.381 16.080 #
±4.31
73.720 319.218 16.458 #
±2.0
60.123 257.543 12.231 #
±0.18d
X
±0.13
79.168 304.451 16.741 #†
±2.10
78.606 314.338 16.389 #
±0.35d
95.332 355.717 20.797 †#
±0.71
36.175 223.072
9.571 †#
±1.1
41.979 218.241 10.388 #
±1.
37.031 212.443
9.354 #
#
±0.7
X
±0.56
44.219 239.330 10.947 †#
±0.957
47.155 248.163 11.158 #
±2.5d
43.238 249.912 10.768 #
±8.
92.101 332.335 18.376 #
±7.6
66.451 359.261 19.126 #
±1.98
44.675 232.489 10.717 #
±1.6d
±2.4
66.510 380.611 19.412 #
±8.
53.671 253.142 12.460
±8.
52.194 246.694 11.983 #
±0.94
X
existence
X
X
phase
(see Burcat.thr
) X
28.230
51.300
6.460 †
±0.7
20.786 153.719
6.197 †
20.785 147.953
6.197 †
†
Table 6 (continued)
Compound
NaCl(cr) cubic Sodium Chloride
NaCl(g)
NaOH(cr) Sodium Hydroxide
NaOH(l) Sodium Hydroxide
NaOH(g) Sodium Hydroxide
NaOH+ Sodium Hydroxide cation
NaNO3(s) Sodium Nitrate
NaNO3 (g)
NaO2(cr)
Na2CO3(s)
Na2O(cr)
Na2O(liq)
Na2O (g)
Na2O2(cr)
Na2O2(g)
Ne REFERENCE ELEMENT<^>
Ne+
NeH radical
NeH+
Ni(cr) REFERENCE ELEMENT
Ni
Ni+
NiNiO Solid-A
NiS(a) Crystal
NiS2(s)
Ni3S2(a)
Ni3S4(s)
O
<^!>
O singlet (excited)
<~>
O triplet only (excited)
O+
OOT Tritium Oxide
T2O Tritium Water (3H2O)
O2 REFERENCE ELEMENT <^!>
O2 singlet (excited)d
O2 triplet only c
O2+
Mol. Wgt.
58.44247
58.44247
39.99711
39.99711
39.99711
39.99656
84.99471
84.99471
54.98857
105.98844
61.97894
61.97894
61.97894
77.97834
77.97834
20.1797
20.17915
21.18764
21.18709
58.6934
58.6954
58.69285
58.69395
74.6928
90.7594
122.8254
240.2122
304.3442
15.99940
15.99940
15.99940
15.99885
15.99995
19.0154
22.0315
31.99880
31.99880
31.99880
31.99825
O2- Superoxide anion
31.99935
O2Pt
see PtO2
O3 OZONE
<~>
O3+
O3- Ozone Anion
O3 cyclo O(OO) Trioxirane
47.9982
47.99765
47.99875
47.9982
±
fH298
 fH 0
kJ/mol
kJ/mol kJ/mol
-411.260 -410.809 ±0.12
-181.545 -180.109 ±0.2
-425.8 -421.384 ±0.2
-416.878 -412.331 ±12.7
-191.000 -187.684
±8.
683.886
681.004
-467.700 -461.115 ±0.5
-285.529 -277.115
±5.
-261.
-264.16
±3.
-1129.355 -1122.946 ±0.26
-414.57
-409.71 ±4.2
-372.843
-16.56
-13.710 ±10.
-512. -506.074
±5.
-123.93 -117.895 ±30.
0
0
2086.966
2080.66 ±0.001
212.715
212.674
±8.
1338.395 1333.952
±8.
0
0
434.903
428.078 ±2.1
1172.6
1165.
311.764
316.541
-239.7
±0.5
-87.864
-87.131 ±6.3
-131.378
±16.7
-217.986
-215.96
±5
-301.115
±25.1
249.175
246.79 ±0.002
438.523
436.666 ±0.002
249.229d 246.844d ±0.002
1568.787 1560.752 0.002
101.846
105.813 0.002
26.854
34.820
8
261.70
264.6
8.
0
0
94.418
94.409 ±0.001
0.0000
0.000 ±1.2E-5
1171.828
1165. ±0.009
[170.782]d
-48.028
-42.5 ±0.18
[-48.92]d
141.8
1356.140
-67.049
272.46
466
144.454
1352.45
-58.463
275.188
±0.04d
±0.042
±0.203
±1.55
S298
Cp298
H298-H0
J/mol/K J/mol/K kJ/mol
50.500
72.150 10.600 †
35.798 229.798
9.615 †
59.650
64.445 10.487 †
†
45.057 237.036 11.718 #†
49.257 242.630 11.695 †
93.050 116.400 17.230 †
67.667 300.084 15.401 †
72.130 115.900 18.300 †
112.300 135.000 20.750 †
69.120
75.040 12.400 †
104.600
91.607
†
56.773 271.324 14.410 †
89.330
94.770 15.694 †
68.503 289.595 15.565 †
20.786
146.33
6.197 †
22.120 158.310
6.304 †
38.706 209.838 10.472 #
29.104 175.879
8.676 #
25.987
29.87
4.786 †
23.361 182.193
6.825 †
20.990 174.574
6.206 †
21.018 174.580
6.207 †
44.309
37.991
47.112
52.992
8.465 †
70.627
71.966
†
117.65 133.888 21.156 †
164.808 186.481
†
21.912
161.06
6.725 †
20.786 156.816
6.197 #
X
20.786 154.961
6.197 †
21.685 157.797
6.571 †
30.038 193.103
9.076 #
34.635 203.139
9.995 #
29.378 205.147
8.680 †
29.485 201.915
8.689 #
X
30.67 205.393
9.311 †
31.422
209.336
39.378
40.631
41.790
38.788
239.011
239.385
247.593
230.192
9.350 †
10.366
10.511
10.631
10.292
#
†
†
#
#
Table 6 (continued)
Compound
O3+ cyclo O(OO)
O3- cyclo O(OO)
O4
O4+
O4Os (S) REFERENCE ELEMENT
Os Osmium
P(cr,white) REF. ELEMENT
P(cr,red)
P
<&>
P+
PPBr3
see Br3P
PBr3+
see Br3P
PCL
PCLF
PCLFPCLF2
PCLF4
PCL2
PCL2PCL2F
PCL2F3
PCL3
<&>
PCL3F2
PCL4F
PCL5
PD
PD3 Phosphine-D3
PF
<&>
PF+
PFPF2
PF2PF3
PF5
PH
PH+
PHPH2 Phosphonium Radical
PH2+ Phosphonium cation
PH2- Phosphonium anion
PH3 PHOSPHINE RRHO <&>
PH3+
P(OH)3 Metaphosphoric acid
O=P(OH)3 Orthophosphoric acid
PH4+ Phosphonium cation
Mol. Wgt.
47.99765
47.99875
63.99760
63.99705
63.99815
190.230
190.230
30.97376
30.97376
30.97376
30.97321
30.97431
270.68521
66.42646
85.42486
85.42541
104.42327
142.42007
101.87916
101.87971
120.87756
158.87437
137.33186
175.32867
191.78296
208.23726
32.98786
37.01607
49.97216
49.97161
49.97271
68.97057
68.97112
87.96897
125.96578
31.9817
31.98115
31.98225
32.98964
32.98909
32.99019
33.99758
33.99703
See H3PO3
See H3PO4
35.00497
fH298
kJ/mol
1503.8d
-62.957
397.672
1443.9
-96.985
0.
788.002
0.
-17.460
316.5
1335.46
238.827
134.615
-283.184
-529.269
-735.077
-1364.91
-54.292
-356.285
-511.925
-1122.02
-289.5
-878.875
-635.016
-376.
229.55
-4.971
-47.945
901.518
-164.046
-513.104
-709.338
-957.4
-1593.30
230.752
1224.9
138.69
135.474
1082.957
13.217
11.786
965.537
769.973
467
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
1500.4d ±4.4d
38.728 233.057 10.342 #
-54.283
±8.
40.789 238.085 10.543 #
403.426
±8.
51.050 246.600 11.607 #
1443.5
±8.
49.235 251.642 11.557 #
-87.148
±8.
58.601 264.132 13.721 #
0.
24.660
32.552
4.987 #
786.792
20.786 192.577
6.197 #
0.
23.824
41.090
5.360 †
-15.707
21.187
22.853
3.607
315.663
±1
20.786
163.2
6.197 †
1337.47
25.859 166.971
8.142 †
243.636
22.169 169.126
6.748 †
#
#
135.275 ±42.
33.991 236.883
9.291 †
-280.451 ±30
47.535 279.494 11.630 †
-520.451 ±50.
47.80 274.544 11.743 †
-730.177 ±30.
63.101 295.068 13.876 †
-1355.629 ±100.
93.005 326.834 18.321 †
-52.
±6.
50.935 285.127 12.249 †
-348. ±40.
50.861 281.466 12.453 †
-507.839 ±30.
67.435 307.925 14.868 †
-1113.291 ±100.
97.348 335.435 19.047 †
-286.3 ±2.0
71.592 311.708 15.932 †
-870.953 ±100. 102.183 338.132 20.165 †
-628.616 ±100. 107.850 358.036 21.734 †
-370.993 ±2.0
113.318 367.208 23.305 †
230.536
±8.
29.323 201.925
8.659 #
+2.641
±8.
42.333 221.724 10.602 #
-47.063 ±20.9
31.619 225.006
8.891 †
895.663 ±37.7
33.429 224.038
9.430 †
-157.592 ±69.
34.786 225.221
9.516 †
-510. ±40.
44.304 262.183 11.081 †
-700. ±40.
44.380 256.272 11.045 †
-951.739 ±1.3
58.685 273.060 12.936 †
-1582.415 ±1.3
84.703 301.026 16.538 †
231.698 ±33.5
29.175 196.381
8.648 †
1219.62
29.116 192.853
8.677 #
145.81
±8.
29.127 193.088
8.677 #
139.333
±8.
34.272 212.710
9.969 #†
1080.621
±8.
34.234 206.917
9.967 #
23.315
±8.
34.414 207.306
9.978 #†
19.712
±8.
37.102 210.245 10.137 #†
967.081
±8.
39.053 216.361 10.321 #
775.749
±8.
40.122
203.417
10.322 #
Table 6 (continued)
Compound
PN
PO
POPO2
PO2PO3
PS
PT Tritium Phosphor
P2
P2O3
P2O4
P2O5
P3
P3O6
P4 tetrahedral
P4O6 (P2O3)2
P4O7
P4O10(s)
P4O10 (P2O5)2
Pb (cr) Reference Element
Pb (gas)
Pb+
PbPbBr
PbBr2
PbBr3
PbBr4
PbCl
PbCl2
PbCl3
PbCl4
PbF
PbF2
PbF3
PbF4
PbH
PbI
PbI2
PbI3
PbI4
PbN6 solid Lead Azide
PbN6(S) Lead Azidew
PbO(S)
PbO
PbO2(S)
PbO2
PbS(S) Galena
Mol. Wgt.
<&>
<&>
<&>
<&>
<&>
44.98050
46.97316
46.97371
62.97256
62.07311
78.97196
63.03976
33.9898
61.94752
109.94572
125.94512
141.94452
92.92128
188.91768
123.89504
219.89144
235.89084
283.88904
283.88904
207.2
207.2
207.19945
207.20054
287.1040
367.0080
446.9120
526.8260
242.65270
278.10540
313.55810
349.0108
226.19840
245.19681
264.19521
283.1936
208.20794
344.10447
461.00894
587.91341
714.81788
291.3
223.19940
223.19940
239.19880
239.19880
239.2660
±
S298
Cp298
H298-H0
fH298
 fH 0
kJ/mol
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
171.487
172.48 ±15.
29.691 211.135
8.702 †
-27.344
-27.548
±3.
31.761 222.744
9.390 †
-140.067 -132.948
±1.
30.759 222.403
8.778 †
-281.527
278. ±10.
39.524 253.687 10.513 †
-597.624
-588. ±30.
40.517 249.406 10.613 †
-450.6
-446.5 ±8.4
59.116 287.252 14.228 #
159.83
159.985 ±2.2
35.242 234.068
9.616 #†
227.92
228.8
±8.
29.552 205.501
8.696 #
144.
145.816 ±2.0
32.032 218.124
8.904 †
-684.645
-677. ±15.
73.927 312.698 16.095 †
-933.755
-923. ±25.
85.131 312.913 17.326 †
-1124.37
-1114. ±30.
105.936
366.58 22.050 †
210.
214.074 ±20.
51.873 263.529 12.006 †
-1575.68
-1557. ±35.
135.741 376.077 23.439 †
74.931
82.263 ±0.4
67.081 279.930 14.109 #†
-1606. -1583.317 ±40.
148.611 356.395 24.798 †
-1984.45
-1959. ±15.
159.256 379.867 26.372 †
-3010.10 -2979.479 ±3.2
215.569 231.000 34.220 †
-2906.22 -2872.479
±5.
191.196 402.094 31.097 †
0.
0.
24.430
36.899
6.870 †
195.2
195.88 ±0.8
20.786 175.377
6.197 †
916.997
910.799
20.786 181.140
6.197 †
153.882
160.752
20.786 186.903
6.197 †
64.821
73.805 ±20
36.916 272.744 10.146 †
-103.908
-87.54
±7.
56.966 339.673 15.022 †
-104.011
-80.330 ±80.
80.540 385.255 19.969 †
-182.436
-152.4 ±80.
104.468 427.724 25.871 †
8.819
10.493 ±12.
36.215 261.306
9.787 †
-175.046
-173.5
±5.
55.299 315.621 14.003 †
-177.654
-175.27 ±80.
77.918 351.604 18.256 †
-327.43
-325.65 ±80.
100.537 381.682 23.449 †
-98.072
-96.853 ±10.
34.401 249.962
9.268 †
-443.427
-440.30 ±11.
50.981 291.532 12.573 †
-489.573
-485.0 ±60.
70.582 316.287 15.535 †
-799.925
-795.03 ±60.
90.232 331.825 19.626 †
236.19
238.605 ±19.2
29.409 220.699
8.689 #
108.904
112.033
±4.
37.152 280.413 10.339 †
-10.253
-5434
±5.
57.182 352.613 15.247 †
21.755
27.35 ±80.
81.624 411.532 21.065 †
-41.281
-35.485 ±80.
106.276 463.806 27.521 †
483.7
X
462.3
X
-218.6
-216.61 ±0.5
46.414
67.840
9.225 †
68.187
70.385 ±4.5
32.513 240.045
8.962 †
-276.0
-271.41 ±1.5
60.997
71.920 10.962 †
136.153
139.452 ±100.
51.721 261.093 12.251 †
-99.475
-99.703 ±1.5
49.499
91.200 11.510 †
468
Table 6 (continued)
Compound
PbS
PbS2
PbTe (S)(L)
PbTe
Pd(S) REFERENCE ELEMENT
Pd Paladium (gas)
Pd+ Paladium Cation
Po(cr) Polonium REF. ELEMENT
Po Polonium (gas)
Po+ Polonium cation
Po- Polonium anion
Po2 DiPolonium (gas)
Pt(S) REFERENCE ELEMENT
Pt Platinum
Pt+ Platinum cation
Pt- Platinum anion
PtH radical
PtO2 solid anhydrous
PtO2 PlatinumDioxide
Ra Radium (cr) Reference Element
Ra Radium (g)
Ra+(g) Radium cation
Rn REFERENCE ELEMENT
Rn+ Radon Cation
S(S) REFERENCE ELEMENT
S *****
<~>
S+
SSBr
SBr2
SCL
SCL2
SCL2+
SCL2SF
SF+
SFSF2
SF2+
SF2SF3
SF3+
SF3SF4
SF4+
SF4SF5
Mol. Wgt.
239.2660
271.3320
334.80000
334.80000
106.420
106.420
106.41945
208.98240
208.98240
208.98185
208.98295
417.9648
195.078
195.078
195.07745
195.07855
196.08594
227.07680
227.07680
226.02540
226.02540
226.02485
222.01760
222.01705
32.066
32.066
32.06545
32.06655
See BrS
See Br2S
67.5187
102.9714
102.97085
102.97195
51.0644
51.06385
51.06495
70.06281
70.06226
70.06336
89.06121
89.06066
89.06176
108.05961
108.05906
108.06016
127.05802
fH298
kJ/mol
127.945
244.049
-70.7
393.
0.
375.999
1186.591
0.
182.017
1000.83
-7.18
180.0
0.
564.999
1431.815
353.121
N/A
~80.0
170.707
0.
160.
675.524
0.
1043.3
0.
277.17
1282.496
70.369
±
S298
Cp298
H298-H0
 fH 0
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
129.797 ±1.5
35.085 251.414
9.430 †
245.722 ±10.
57.511 286.141 14.021 †
50.551 110.039
36.732 271.391 10.103 #
0.
25.891
37.602
5.439 #
375.242
20.786 167.063
6.196 #
1179.63
20.786 181.962
6.197 #
0.
25.999
61.999
6.699 #
182.52
20.786 188.811
6.197 #
994.637
20.786 187.067
6.197 #
-13.376
20.786 187.067
6.197 #
183.04
37.171 274.943 10.360 #
0.
25.640
41.568
5.707 #
558.422
25.531 192.410
6.577 #
1425.129
20.786 189.518
6.197 #
358.828
20.826 180.385
6.197 #
N/A
29.723 216.963
8.681 #
X
43.118 259.626
#
0.
28.999
68.998
7.201 #
161.
20.786 138.168
5.862 #
670.293
20.786 182.222
6.197 #
0.
20.786 176.238
6.197 †
1037.1
20.786 187.761
6.197 †
0.
22.690
33.070
4.412 †
274.925 ±0.25
23.674 167.832
6.657 †
1274.514
20.786 163.632
6.197 †
74.513
22.783 164.923
6.465 †
156.47
-17.573
901.383
-210.857
15.446
994.570
-231.347
-293.189
706.016
-394.795
-504.101
393.583
-790.124
-760.
416.112
-887.464
-902.663
155.648 ±16.7
-16.425 ±3.3
896.326
±2.
-205.528
±8.
14.8 ±6.3
988.333 ±10.
-225.2 ±50.
-291. ±10.
701.821
-387.485 ±42.
-500. ±20.
392.627 ±33.5
-780.
±7.
-753.321 ±20.
415.471 ±50.
-877.685 ±33.5
-895. ±10.
469
37.542
50.896
50.861
56.219
35.180
31.679
31.787
44.415
44.937
50.165
63.148
56.224
64.068
76.673
80.396
89.189
100.085
237.328
281.633
287.327
301.415
225.282
225.410
216.351
256.582
263.528
267.450
285.616
268.977
281.593
296.714
311.676
312.967
322.275
9.819
12.445
12.453
14.462
9.470
8.864
8.875
11.048
11.234
12.125
13.548
12.409
13.773
15.383
16.506
18.480
18.811
†
†
†
#
†
†
†
†
†
†
†
†
†
†
†
†
†
Table 6 (continued)
Compound
SF5+
SF5SF5Br
SF5CL
SF6
<^>
SF6SN
SO
<~>
SOSOF2
SO2
<^~>
SO2+ cation
SO2SO2CLF
SO2CL2
SO2F2
SO3
<~>
SO3ST Sulfur Tritium
S2
<~>
S2S2CL
S2CL2
S2F2 (S=SF2) Thiothionyl fluoride
FS2F (FSSF) Fluorodisulfane
S2F10
S2O SSO
S2O+ SSO+ cation
S2O- SOS anion
SOS cyclo
S2O+ SOS cyclo
S3
S3S4
S5
S6
S7
S8
Sb(s) REFERENCE ELEMENT
Sb(g)
Sb-W
SbBr3 TriBromoAntimon
SbCl singlet
SbCl2 DichloroAntimon Radical
SbCl3 TrichloroAntimon.
SbCl5 PentachloroAntimon
SbF
Mol. Wgt.
127.05746
127.05856
206.96202
162.51072
146.05642
146.05697
46.07274
48.06540
48.06595
86.06221
64.0648
64.06425
64.06535
118.5159
134.9702
102.06161
80.06420
80.06475
35.082
64.13200
64.13255
99.58470
135.0374
102.12881
102.12881
254.11603
80.13140
80.13085
80.13195
80.13140
80.13085
96.19800
96.19855
128.2640
160.3300
192.3960
224.4620
256.528
121.760
121.760
121.761
361.4720
157.21270
192.66540
228.11810
299.0235
140.7584
fH298
 fH 0
kJ/mol
kJ/mol
172.644
176.574
-1204.62
-1191.
-972.8
-953.5
-1038.9 -1026.293
-1219.4 -1205.453
-1341.88 -1322.282
279.45
278.427
4.760
4.714
-105.968 -100.486
-584.952
-580.
-296.81 -294.266
914.506
910.559
-408.606 -400.066
-556.472 -549.070
-354.802 -348.559
-760. -751.573
-395.9 -390.156
-595.95 -584.378
135.022
142.899
128.60
128.292
-37.132
-31.708
78.6
79.540
-16.736
-16.734
-331.8 -327.869
-322.2 -319.146
-2064.39
-56.035
-54.
976.948
972.108
-246.800 -239.309
134.306
136.383
1057.414 1052.393
144.738
146.
-81.5
-74.4
135.632
139.
132.993
136.
101.315
105.
111.890
116.5
101.277
105.
0
0
264.588
161.
-120.123
177.820
-98.742
-97.32
-313.382
-312.0
-433.044
-74.128
470
±
kJ/mol
±20.9
±10.
±59
±10.5
±1.5
±29.3
±2.1
±0.18
±5.0
±50.
±0.21
±8.
±3.5
±21
±2.1
±8.4
±0.71
±8.
±8.
±0.3
±4.0
±
±4.2
±2.1
±2.1
±29.3
±1.4
±8.
±1.6
±4.2
±8.
±4.
±2.5
±3.
±4.
±3.
±3.
±2.
±6.3
±21.
±11.4
±4.27
±4.48
±9.12
S298
Cp298
H298-H0
J/mol/K J/mol/K kJ/mol
89.844 298.157 16.347 †
101.065 317.070 19.050 †
107.075 333.654 19.433 #
104.344 323.589 18.458 #
97.069 291.678 16.940 †
99.986 302.865 17.491 †
31.795 222.096
9.393 #†
30.176 221.942
8.798 †
34.425 223.679
9.467 †
57.095 279.138 12.625 †
39.842 248.222 10.548 †
41.696 255.018 10.842 #
41.795 256.027 10.749 †
71.593 302.854 14.701 †
77.096 311.101 16.029 †
65.776 283.543 13.490 †
50.619 256.547 11.688 †
53.666 265.328 12.057 #
32.656 204.812
9.237 #
32.505 228.167
9.132 †
37.193 228.430
9.597 †
50.968 292.162 12.474 †
72.776 327.237 16.521 †
63.128 292.833 13.718 #†
66.042 294.088 14.595 #†
176.702 397.041
44.114 266.968 11.129 †
46.704 272.463 11.807 #
48.457 273.597 11.871 #
45.310 261.411 11.087 #
47.592 273.147 11.988 #
48.964 276.296 11.974 †
50.769 286.108 12.370 #
65.944 293.565 14.280 †
87.870 354.088 19.053 †
113.165 357.812 22.787 †
133.866 404.855 26.274 †
156.503 432.546 31.573 †
25.301
45.080
5.822 #
20.786 180.264
6.197 #
X
79.632 377.075 19.762 #
37.948 248.179
9.750 #
43.229 280.788 11.032 #
77.389 341.080 18.207 #
122.115 422.234 27.003 #
35.992 236.617
9.301 #
Table 6 (continued)
Compound
SbF3 TriFluoroAntimon
SbOH singlet
SbOH triplet
Sb(OH)2
SbH3 Antimonium Hydride
Sb(OH)3
Sb2(g)
Sb4(g)
Si(cr) REFERENCE ELEMENT
Si
<~>
Si+
Si- w
SiC(b) Silicon carbide
SiC2
SiCl
<&>
SiCl2
SiCl3
SiHCl3
SiCl4
<^>
SIF2 DifluoroSilylene
SiF3 TrifluoroSilyl Radical
SiHF3 TriFluoroSilane
SiF4 TetrafluoroSilane
<^~>
SiH3 Silyl
<~>
SiH4 Silane
<^~>
SiO2(Lqz) Quarz
Si2H6 Disilan H3Si-SIH3 <~>
Si2N2O(s) Silicon Oxynitride
Si3N4(a) Silicon Nitride
SiS2 Solid
Sn (cr) REFERENCE ELEMENT
Sn
Sn+
SnSnCl4 TetraChloroStanum <&>
SnH3 TriHydroStanum Radical
SnH4 TetraHydroStanum
T Tritium (3H) gas
T2 Tritium (3H) REF. ELEMENT
98Tc(cr)Technetium Ref.Elemen
98Tc(gas) Technetium
98Tc+
Technetium cation
Te(s) Telurium Ref. Element
Te
Telurium
Te+ Telurium cation
Te- Telurium anion
W(cr) Reference Element
Mol. Wgt.
178.75521
138.76734
138.76734
155.77468
124.78382
172.78202
243.520
487.04000
28.0855
28.0855
28.08495
28.0860
40.09620
52.10690
63.53820
98.99090
134.44360
135.45154
169.89630
66.08231
85.08071
86.08865
104.07911
31.10932
32.11726
60.08430
62.21864
100.18388
140.28346
92.2175
118.710
118.710
118.70945
118.71055
260.52080
121.73382
122.74176
3.01605
6.0321
97.9072
97.9072
97.90665
127.60
127.60
127.59945
127.60055
183.84
fH298
kJ/mol
-812.533
68.199
21.34
-279.073
144.766
-638.478
236.
205.
0.
450.
1242.5
316.
734.946
631.361
142.363
-163.069
-336.272
-496.222
-662.2
-627.014
-993.365
-1207.67
-1614.98
198.45
34.7
-910.7
80.3
-947.711
-787.8
-213.384
0.0
301.2
1015.95
179.496
-478.650
258.153
162.758
223.371
0.
0
635.00
709.594
0
209.459
1085.355
14.253
0
471
 fH 0
kJ/mol
153.218
0.
448.32
1232.185
730.
625.0
140.327
-163.2
-335.
-491.150
-660.076
-626.2
-990.4
-1200.5
-1609.4
204.093
44.319
-905.718
96.502
-772.921
0.0
301.308
1009.878
185.526
-476.30
266.252
174.594
221.148
0.
0
634.00
702.4
0
209.363
1079.062
20.363
0
±
S298
Cp298
H298-H0
kJ/mol J/mol/K J/mol/K kJ/mol
68.256 303.031
#
±19.8
39.595 273.714 10.471 #
±6.4
40.422 263.403 10.573 #
±6.3
66.186 308.869 14.798 #
±4.2
41.217 232.745 10.493 #
±4.5
97.581 333.671 19.140 #
36.412 255.882
9.894 #
79.318 354.711 18.880 #
19.789
18.81
3.217 †
22.251
167.982
7.550 †
0.84
24.336 163.429
7.343 †
±14.
161.98
X
±20.
31.032 226.213
9.217 †
±12.
44.227 252.239 11.685 †
±40.
35.783 237.840
9.884 †
±4.2
51.274 281.618 12.529 †
±10.
70.563 316.646 15.717 †
±4.2
75.457 313.722 16.152 †
±0.8
90.406 331.452 19.455 †
±16.8
44.707 256.710 11.228 #
±8.
59.613 282.433 13.398 #
±5.4
63.486 277.351 13.545 #
±4.2
73.534 282.615 15.325 #
±4.2
38.920 216.498 10.277 †
±8.2
42.787 204.208 10.535 †
±1.0
44.602
41.460
9.916 †
±1.5
77.260 274.605 15.638 #
65.56
45.350
†
±3.
93.010
66.065 12.113 †
77.482
80.333
#
27.112
51.179
6.322 X
±1.5
21.260 168.495
6.216 †
20.786 174.193
6.197 †
24.464 181.197
6.490 †
±4.2
98.459 364.549 22.340 †#
±4.2
44.818 240.204 10.926 #
±4.2
51.108 228.991 11.423 #
20.786 128.386
6.197 #
29.200 153.327
8.611 #
24.698
32.999
5.200 #
20.794 181.050
6.097 #
20.786 182.331
6.197 #
25.723
49.409
6.100 #
20.786 182.711
6.197 #
20.786 180.853
6.197 #
20.786 180.853
6.197 #
35.378
32.374
4.973 †
Table 6 (continued)
Compound
W
W+ Tungsten cation
W- Tungsten anion
WBr
WCl
WCl2O2 solid
WCl2O2
WCL4O solid
WCl4O
WCl6 Solid
WCl6
WF Rad.
WF2
WF3 Rad.
WF4
WF5 Rad.
WF6
WO
WO2 solid
WO2
WO3 (cr)
WO3 gas
WO3- anion
W2O6 (WO3)2
W3O9 (WO3)3
W4O12 (WO3)4
W5O15 (WO3)5
Xe REFERENCE ELEMENT <^>
Xe+
XeF4 wk Xenon Tetrafluoride
XeH+
Zn(cr) REFERENCE ELEMENT
Zn
<&>
Zn+
ZnCO3 Zinc Carbonate
ZnCL2
Zn(NO3)2 (S)
Zn(NO3)2.6H2O(cr)
ZnO (S)
ZnO
Zinc Oxide
ZnOZinc Oxide anionw
ZnS (cr) Wurzite
ZnS (cr) Zinc Sulphide
ZnS (g)
ZnSO4 (cr)
Zn3N2 (S) Zinc Nitride
Zr(cr) REFERENCE ELEMENT
Mol. Wgt.
183.84
183.83945
183.84055
263.74400
219.29270
286.74420
286.74420
341.65020
341.65020
396.55620
396.55620
202.83840
221.83681
240.83521
259.83361
278.83202
297.83041
199.83940
215.83880
215.83880
231.83820
231.83820
231.83875
463.67640
695.51460
927.3528
1159.1910
131.29
131.28945
207.28361
132.29739
65.39
65.39
65.38945
125.3989
136.29540
81.3894
81.3894
97.4560
97.4560
97.4560
161.4536
224.18348
91.2240
±
fH298
 fH 0
kJ/mol
kJ/mol kJ/mol
851.244
850.
±5.
1627.841 1620.395
770.6
775.6 ±2.1
586.2
593.7 ±84.
553.54
553.74 ±41.8
-780.316
±5.9
-671.5
-668.20 ±25.
-671.14
±8.4
-573.5
-568.09 ±20.9
-593.71
±25.1
-493.7 -491.987 ±25.1
386.18
-86.19
-84.946 ±13.4
-507.1
-503.5 ±12.
-928.85
-925.19 ±10.5
-1293.3
-1286.9 ±8.5
-1721.72 -1744.427 ±1.7
401.73
402.29 ±62.8
-588.1
-583.16 ±1.5
29.062
32.00 ±15.
-841.300 -836.587 ±2.0
-319.725 -315.000 ±15.
-650.5
-640.0 ±30.
-1210.8
-1200.0 ±35.
-2013.3
-2000. ±50.
-2817.4
-2800. ±60.
-3551.5
-3530. ±100.
0
0
1176.552
1170.35 ±0.006
-182.00
-177.2 ±4.2
1042.79d 1038.36d ±0.94d
0
0
130.4
129.86
1043.
1036.26
-812.78
-265.684
-483.66
-2305.05
-350.460 -347.433 ±0.24
110.424
111.544
53.1
±4.2
-194.800 -193.582
-200.500 -199.249
183.935
184.545
-980.144
-969.95 ±4.2
-22.602
0.
0.
472
S298
Cp298
H298-H0
J/mol/K J/mol/K kJ/mol
21.306 173.957
6.217 †
21.392 179.739
6.221 †
20.786 188.782
6.197 #†
35.945 272.568
9.716 #
34.772 261.860
9.364 #
104.408 200.832
†
87.200 353.932 19.504 †
146.248 172.799
†
106.140 377.084 22.271 †
175.418 238.488
†
143.943 419.172 30.791 †
34.020
251.1
51.838 263.815 12.554 #
66.246 306.787 14.575 #
85.689 325.365 18.965 #
103.140 345.821 20.685 #
118.841 340.971 22.711 #
30.434 245.768
8.754 †
55.780
50.640
8.711 X†
41.980 271.487 10.715 †
79.705
81.640 13.280 X†
59.164 283.127 13.268 †
61.174 291.664 13.715 †
128.395 395.245 25.543 †
204.304 518.322 40.688 †
276.407 618.888 54.539 †
349.313 717.875 68.473 †
20.786 169.686
6.197 †
20.786 181.212
6.197 †
89.998 323.6±5. 19.058 #
29.125 206.925
8.677 #
25.390
41.630
5.657 †
20.786 160.993
6.197 †
20.786 166.756
6.197 †
80.077
82.400
56.902 276.672
193.7
X
X
41.089
43.640
6.970 #
31.804 223.654
8.877 #
X
45.880
58.840
8.851 #
45.760
58.660
8.818 #
35.245 237.200
9.459 #
99.035 110.541 17.238 †
109.334 108.784
25.202
38.869
5.497 †
Table 6 (continued)
Compound
Zr
Zr+
ZrZrCl2
ZrCl4
ZrF
ZrF2
ZrF4
ZrN(cr)
ZrN
ZrO
ZrO2(cr)
ZrO2
Mol. Wgt.
91.2240
91.2234
91.22455
162.12940
233.0348
110.22240
129.22080
167.21762
105.23074
105.23074
107.22340
123.22280
123.22280
±
S298
Cp298
H298-H0
fH298
 fH 0
kJ/mol
kJ/mol kJ/mol J/mol/K J/mol/K kJ/mol
599.319
598.0 ±20.9
26.642 181.346
6.816 †
1246.25
1238.07 ±20.9
28.283 183.642
7.472 †
552.952
556.897
28.693 185.765
7.749 †
-185.750 -185.316 ±20.9
57.677 292.562 14.244 #
-869.980 -868.682 ±2.1
98.234 367.710 22.561 #
82.84
83.666 ±20.9
33.420
243.7
9.084 #
-558.150 -555.657 ±20.9
48.652 283.430 11.829 #
-1673.6 -1669.395 ±3.3
86.810 319.300 18.942 #
-371.238 -367.996
40.443
38.861
6.590 †
713.372
714.341
31.661 233.491
8.863 †
83.923
84.790
34.374 228.400
8.970 †
-1100.3 -1094.874 ±0.7
55.920
50.390
8.751 †
-317.043 -314.874 ±>15.
46.062 273.750 12.008 †
a
Values from Active Thermochemical Tables ATcT A (2005). Not published.
Values from Active Thermochemical Tables ATcT B 30.5.2010
http://atct.anl.gov
c
Values from Active Thermochemical Tables ATcT C ver. 1.112 May 2011.
d
Values from Active Thermochemical Tables ATcT D ver. 1.110 December 2013
as posted in http://atct.anl.gov/ThermochemicaData/version1.110/index.html
W
Webbook NIST Database
# 9 term NASA polynomials are available in the NEWNASA.TXT file for this species.
† 9-term NASA polynomials are available in
http://www.grc.nasa.gov/WWW/CEAWeb/ceaThermoBuild.htm
X Polynomials not available
[ ] values in square brackets are from ATcT D see d above
<!> Transport properties are available at http://melchior.usc.edu/JetSurF/JetSurF1.0
<~> Transport properties available at T. Noto, V. Babushok, A. Hamins, and W. Tsang.
Combust. Flame, 112:147-160, 1998.
http://dx.doi.org/10.1016/S0010-2180(97)81763-4
<^> NASA Transport properties in polynomial form. Available at
b
ftp://ftp.grc.nasa.gov/users/mzehe/trans.inp
<&> NASA Transport properties in polynomial form. Calculated by Sanford Gordon
in the publications: NASA TM-4513 (1993) and NASA TM-4647 (1995) by R.A Svehla. .
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