Diploma Programme
Chemistry data booklet
First examinations 2009
Diploma Programme
Chemistry data booklet
First published March 2007
Revised edition published September 2008
International Baccalaureate
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Contents
1. Some relevant equations
1
2. Physical constants and unit conversions
1
3. The electromagnetic spectrum
1
4. Names of the elements
2
5. The periodic table
3
6. Melting points and boiling points of the elements
4
7. First ionization energy, electron affinity and electronegativity of the elements
5
8. Atomic and ionic radii of the elements
6
9. Covalent bond lengths
7
10. Bond enthalpies and average bond enthalpies at 298 K
7
11. Organic compounds—thermodynamic data
8
12. Enthalpies of combustion
9
13. Lattice enthalpies at 298 K (experimental and theoretical values)
10
14. Standard electrode potentials
12
15. Strengths of organic acids and bases
13
16. Acid–base indicators
14
17. Infrared data
15
18. 1H NMR data
16
19. 2-Amino acids
17
20. Structural formulas of some medicines and drugs
19
21. Structural formulas of some biological molecules
21
22. Structural formulas of some food chemistry molecules
22
23. References
24
Notes
This booklet cannot be used for paper 1 of the examination (SLP1 and HLP1), but the periodic table
given on page 3 will be available as part of these examination papers. Clean copies of this booklet
must be made available to candidates for papers 2 and 3 (SLP2, SLP3, HLP2 and HLP3).
Chemistry data booklet
Chemistry data booklet
1. Some relevant equations
log10
ln k = –
I0
= εlc
I
k = Ae
Ea
+ ln A
RT
− Ea
RT
c=f λ
PV = nRT
∆G Ö = ∆H Ö − T ∆S Ö
q=mcΔT
E=hf
2. Physical constants and unit conversions
Avogadro’s constant (L) = 6.02 × 1023 mol–1
Gas constant (R) = 8.31 J K–1 mol–1
Molar volume of an ideal gas at 273 K and 1.01 × 105 Pa = 2.24 × 10 –2 m3 mol–1 (= 22.4 dm3 mol–1)
Planck’s constant (h) = 6.63 × 10 –34 J s
Specific heat capacity of water = 4.18 kJ kg–1 K–1 (= 4.18 J g–1 K–1)
Ionic product constant for water (Kw) = 1.00 × 10 –14 at 298 K
1 atm = 1.01 × 105 Pa
1 dm3 = 1 litre = 1 × 10 –3 m3 = 1 × 103 cm3
3. The electromagnetic spectrum
Energy
10 –16
10 –14
10 –12
γ rays
10 –10
10 –8
X rays
UV
10 –6
10 –4
IR
10 –2
microwaves
10 0
102
104
106
108
wavelength / m
radio waves
V I B G Y O R
400
700
wavelength / nm
Chemistry data booklet
1
Chemistry data booklet
4. Names of the elements
2
Element
Symbol
Atomic
number
actinium
aluminium
americium
antimony
argon
arsenic
astatine
barium
berkelium
beryllium
bismuth
bohrium
boron
bromine
cadmium
caesium
calcium
californium
carbon
cerium
chlorine
chromium
cobalt
copper
curium
dubnium
dysprosium
einsteinium
erbium
europium
fermium
fluorine
francium
gadolinium
gallium
germanium
gold
hafnium
hassium
helium
holmium
hydrogen
indium
iodine
iridium
iron
krypton
lanthanum
lawrencium
lead
lithium
lutetium
magnesium
manganese
meitnerium
Ac
Al
Am
Sb
Ar
As
At
Ba
Bk
Be
Bi
Bh
B
Br
Cd
Cs
Ca
Cf
C
Ce
Cl
Cr
Co
Cu
Cm
Db
Dy
Es
Er
Eu
Fm
F
Fr
Gd
Ga
Ge
Au
Hf
Hs
He
Ho
H
In
I
Ir
Fe
Kr
La
Lr
Pb
Li
Lu
Mg
Mn
Mt
89
13
95
51
18
33
85
56
97
4
83
107
5
35
48
55
20
98
6
58
17
24
27
29
96
105
66
99
68
63
100
9
87
64
31
32
79
72
108
2
67
1
49
53
77
26
36
57
103
82
3
71
12
25
109
Element
mendelevium
mercury
molybdenum
neodymium
neon
neptunium
nickel
niobium
nitrogen
nobelium
osmium
oxygen
palladium
phosphorus
platinum
plutonium
polonium
potassium
praseodymium
promethium
protactinium
radium
radon
rhenium
rhodium
rubidium
ruthenium
rutherfordium
samarium
scandium
seaborgium
selenium
silicon
silver
sodium
strontium
sulfur
tantalum
technetium
tellurium
terbium
thallium
thorium
thulium
tin
titanium
tungsten
uranium
vanadium
xenon
ytterbium
yttrium
zinc
zirconium
Symbol
Atomic
number
Md
Hg
Mo
Nd
Ne
Np
Ni
Nb
N
No
Os
O
Pd
P
Pt
Pu
Po
K
Pr
Pm
Pa
Ra
Rn
Re
Rh
Rb
Ru
Rf
Sm
Sc
Sg
Se
Si
Ag
Na
Sr
S
Ta
Tc
Te
Tb
Tl
Th
Tm
Sn
Ti
W
U
V
Xe
Yb
Y
Zn
Zr
101
80
42
60
10
93
28
41
7
102
76
8
46
15
78
94
84
19
59
61
91
88
86
75
45
37
44
104
62
21
106
34
14
47
11
38
16
73
43
52
65
81
90
69
50
22
74
92
23
54
70
39
30
40
Chemistry data booklet
Chemistry data booklet
7
6
5
4
3
2
1
12
39
38
37
223.02
226.03
Ra
88
87
Fr
137.33
132.91
Ba
56
Cs
87.62
55
Sr
85.47
Rb
†
Ac
‡
‡
†
227.03
89
138.91
La
57
88.91
Y
44.96
40.08
39.10
21
Sc
20
Ca
19
K
24.31
22.99
Mg
11
Na
9.01
4
Be
2
6.94
Li
3
1.01
H
1
1
59
58
Sg
232.04
231.04
238.03
U
92
91
Pa
90
Th
144.24
140.91
60
Nd
266.12
106
183.85
W
74
95.94
Mo
42
52.00
24
Cr
140.12
Pr
262.11
260
Ce
105
Db
180.95
Ta
73
92.91
Nb
41
50.94
V
23
Element
Atomic number
Bh
239.05
93
Np
144.91
61
Pm
264.12
107
186.21
Re
75
98.91
Tc
43
54.94
25
Mn
Relative atomic mass
104
Rf
178.49
Hf
72
91.22
Zr
40
47.90
22
Ti
5. The periodic table
Hs
239.05
94
Pu
150.35
62
Sm
269.13
108
190.23
Os
76
101.07
Ru
44
55.85
26
Fe
Mt
243.06
95
Am
151.96
63
Eu
268.13
109
192.22
Ir
77
102.91
Rh
45
58.93
27
Co
247.07
96
Cm
157.25
64
Gd
195.09
Pt
78
106.42
Pd
46
58.71
28
Ni
247.07
97
Bk
158.93
65
Tb
196.97
Au
79
107.87
Ag
47
63.55
29
Cu
252.08
98
Cf
162.50
66
Dy
200.59
Hg
80
112.41
Cd
48
65.38
30
Zn
254.09
99
Es
164.93
67
Ho
204.37
Tl
81
114.82
In
49
69.74
31
Ga
26.92
13
Al
10.81
5
B
3
253.09
100
Fm
167.26
68
Er
207.19
Pb
82
118.69
Sn
50
72.59
32
Ge
28.09
14
Si
12.01
6
C
4
257.10
101
Md
168.93
69
Tm
208.98
Bi
83
121.75
Sb
51
74.92
33
As
30.97
P
15
14.01
7
N
5
255.09
102
No
173.04
70
Yb
210
Po
84
127.60
Te
52
78.96
34
Se
32.06
S
16
16.00
8
O
6
Lr
257
103
174.97
71
Lu
209.99
At
85
126.90
I
53
79.91
35
Br
35.45
17
Cl
19.00
9
F
7
222.02
86
Rn
131.30
54
Xe
83.80
36
Kr
39.95
18
Ar
20.18
10
Ne
4.00
2
He
0
Chemistry data booklet
3
4
371
1795
1042
3730
1323
1913
973
1413
300
950
Fr
Ra
Ac
3473
4875
5700
Ta
3269
Hf
2500
La
1194
942
Ba
5015
Nb
2740
3653
V
2163
4650
Zr
2125
3560
Ti
1933
3611
998
Cs
1657
302
959
Sr
312
Rb
Y
3104
1757
Sc
1814
1033
Ca
1112
336
K
1380
Mg
1156
Na
922
3243
1615
Be
1551
Li
454
20
H
14
5933
W
3683
5833
Mo
2883
2943
Cr
2130
5900
Re
3453
5150
Tc
2445
2235
Mn
1517
5570
Os
2973
4173
Ru
2583
3023
Fe
1808
4403
Ir
2683
4000
Rh
2239
3143
Co
1768
Boiling point / K
Element
Melting point / K
4100
Pt
2045
3243
Pd
1827
3003
Ni
1728
3353
Au
1337
2485
Ag
1235
2840
Cu
1356
6. Melting points and boiling points of the elements
630
234
Hg
1038
594
Cd
1180
693
Zn
1730
Tl
577
2353
In
429
2676
303
Ga
2740
Al
933
2823
B
2573
2013
Pb
601
2543
Sn
505
3103
Ge
1210
2628
Si
1683
5100
C
3925
1833
Bi
544
2023
Sb
904
886
1235
Po
527
1263
Te
723
958
Se
490
1090
As
718
S
392
90
O
55
553
P
317
77
N
63
610
At
575
457
I
387
332
Br
266
238
Cl
172
85
F
53
Xe
211
202
Rn
166
161
121
116
Kr
87
84
Ar
27
25
Ne
4
1
He
Chemistry data booklet
Chemistry data booklet
Chemistry data booklet
–5
Ra
0.9
Fr
0.7
–10
0.9
509
0.8
–44
Ba
503
Cs
–46
1.0
0.8
393
376
Sr
Rb
550
1.0
0.8
47
Ca
K
–2
–14
1.3
–48 590
Mg
0.9
738
1.6
–53
Be
Li
900
1.0
–60
Na
403
419
496
520
–73
2.2
H
1312
Y
-30
1.1
1.1
Ac
499 –34
1.5
Ti
1.3
Hf
680
1.3
Zr
660
–18 658
–45
1.2
La
538
616
1.4
Sc
631
–41
–8
1.6
V
1.5
Ta
761
1.6
–31
–86
–51
Nb
664
650
1.7
W
770
2.2
Mo
1.7
Cr
685
653
–79
1.9
Re
760
2.1
Tc
–14
–53
1.6
Mn
717
–72 702
–64
Element
–101
2.2
Os
–106
2.2
Ru
840
711
1.8
Fe
759
–15
–64
880
2.2
Ir
–151
2.3
Rh
–110
1.9
Co
720
758
2.2
Pt
870 – 205 890
2.2
Pd
–54
1.9
731
–112 746
Ni
805
737
Electron affinity / kJ mol –1
2nd EA / kJ mol –1
Electronegativity
First ionization energy /
kJ mol–1
1.7
Cd
1.7
Zn
2.4
Au
1.9
Hg
–223 1007
1.9
Ag
–126 868
1.9
Cu
–119 906
589
558
579
578
801
–41 762
–42 789
1.8
Tl
1.8
In
1.8
–19 716
–29 709
Ga
1.6
Al
2.0
B
3.0
N
1.8
Pb
2.0
Sn
–35 703
–107 834
2.0
Ge
–119 947
1.9
Si
–79 941
1.9
Bi
2.1
Sb
–91 812
3.2
3.0
Br
2.0
Po
–183
2.1
Te
2.2
At
–270
2.7
I
–190 1008 –295
2.6
Se
–195 1140 –325
Cl
S
2.6
–72 1000 –200 1251 –349
+640
F
4.0
O
3.4
1314 –141 1681 –328
+798
–101 869
2.2
As
2.2
P
–134 1012
2.6
C
–27 1086 –122 1402
7. First ionization energy, electron affinity and electronegativity of the elements
Rn
1037
Xe
1170
Kr
1351
Ar
1521
Ne
2081
He
2372
Chemistry data booklet
5
6
Ra
148 (2+)
Fr
180 (1+)
220
134 (2+)
167 (1+)
270
Ba
Cs
217
110 (2+)
148 (1+)
262
Sr
215
94 (2+)
Ca
Rb
244
133 (1+)
K
197
65 (2+)
98 (1+)
231
Mg
Na
160
30 (2+)
68 (1+)
186
Be
112
Li
152
154 (1–)
H
30
112 (3+)
Ac
188
115 (3+)
La
188
93 (3+)
Y
180
81 (3+)
Sc
160
76 (4+)
Hf
157
80 (4+)
Zr
157
Ti
90 (2+)
68 (4+)
146
64 (5+)
72 (6+)
Ta
143
72 (3+)
64 (5+)
Nb
141
88 (2+)
V
131
125
W
66 (4+)
42 (6+)
137
68 (4+)
Mo
136
63 (3+)
Cr
Ionic
radius /
10–12 m
Re
63 (4+)
38 (7+)
137
Tc
65 (4+)
37 (7+)
135
Mn
80 (2+)
60 (4+)
129
Element
Os
63 (4+)
39 (8+)
134
68 (3+)
62 (4+)
Ru
133
Fe
76 (2+)
64 (3+)
126
Atomic
radius /
10–12 m
Ir
68 (3+)
63 (4+)
135
Rh
67 (3+)
60 (4+)
134
Co
74 (2+)
63 (3+)
125
8. Atomic and ionic radii of the elements
80 (2+)
63 (4+)
Pt
138
Pd
86 (2+)
62 (4+)
138
72 (2+)
Ni
124
Au
137 (1+)
85 (3+)
144
126 (1+)
Ag
144
Cu
96 (1+)
69 (2+)
128
Hg
127 (1+)
110 (2+)
152
97 (2+)
Cd
149
74 (2+)
Zn
133
Tl
150 (1+)
93 (3+)
171
81 (3+)
In
166
62 (3+)
Ga
141
45 (3+)
Al
143
16 (3+)
B
88
Si
Pb
120 (2+)
84 (4+)
175
Sn
112 (2+)
71 (4+)
162
Ge
53 (4+)
272 (4–)
122
42 (4+)
271 (4–)
117
260 (4–)
C
77
Bi
120 (3+)
76 (5+)
170
245 (3–)
Sb
141
222 (3–)
As
121
212 (3–)
P
110
171 (3–)
N
70
Po
94 (4+)
67 (6+)
140
222 (2–)
Te
137
202 (2–)
Se
117
190 (2–)
S
104
146 (2–)
O
66
62 (7+)
At
140
219 (1–)
I
133
196 (1–)
Br
114
181 (1–)
Cl
99
133 (1–)
F
64
Rn
Xe
Kr
Ar
Ne
He
Chemistry data booklet
Chemistry data booklet
Chemistry data booklet
9. Covalent bond lengths
Bond
H–H
C–C
C=C
C≡C
C C (in benzene)
Si–Si
N–N
N=N
N≡N
P–P
O–O
O=O
S–S
S=S
F–F
Cl–Cl
Br–Br
I–I
Bond length / nm
Bond
Bond length / nm
0.074
0.154
0.134
0.120
0.140
0.235
0.145
0.120
0.110
0.221
0.148
0.121
0.205
0.189
0.142
0.199
0.228
0.267
C–H
Si–H
N–H
P–H
O–H
S–H
F–H
Cl–H
Br–H
I–H
0.108
0.148
0.101
0.144
0.096
0.134
0.092
0.127
0.141
0.161
C–O
C=O
C–N
C=N
C≡N
C–F
C–Cl
C–Br
C–I
0.143
0.120
0.147
0.130
0.116
0.138
0.177
0.194
0.214
Si–O
0.161
10. Bond enthalpies and average bond enthalpies at 298 K
Bond
H–H
C–C
C=C
C≡C
C C (benzene)
Si–Si
N–N
N=N
N≡N
P–P
O–O
O=O
S–S
F–F
Cl–Cl
Br–Br
I–I
Chemistry data booklet
ΔH / kJ mol –1
436
347
612
838
505
226
158
410
945
198
144
498
266
158
243
193
151
Bond
ΔH / kJ mol –1
C–H
Si–H
N–H
P–H
O–H
S–H
F–H
Cl–H
Br–H
I–H
413
318
391
321
464
364
568
432
366
298
C–O
C=O
C–N
C=N
C≡N
C–F
C–Cl
C–Br
C–I
358
746
286
615
887
467
346
290
228
Si–O
466
7
Chemistry data booklet
11. Organic compounds—thermodynamic data
Substance
Formula
methane
ethane
propane
butane
pentane
hexane
ethene
propene
but-1-ene
cis-but-2-ene
trans-but-2-ene
ethyne
propyne
buta-1,3-diene
cyclohexane
benzene
methylbenzene
ethylbenzene
phenylethene
chloromethane
dichloromethane
trichloromethane
bromomethane
iodomethane
chloroethane
bromoethane
chlorobenzene
methanol
ethanol
phenol
methanal
ethanal
propanone
methanoic acid
ethanoic acid
benzoic acid
methylamine
CH4
C2H6
C3H8
C4H10
C5H12
C6H14
C2H4
C3H6
C4H8
C4H8
C4H8
C2H2
C3H4
C4H6
C6H12
C6H6
C6H5CH3
C6H5CH2CH3
C6H5CHCH2
CH3Cl
CH2Cl2
CHCl3
CH3Br
CH3I
C2H5Cl
C2H5Br
C6H5Cl
CH3OH
C2H5OH
C6H5OH
HCHO
CH3CHO
(CH3)2CO
HCOOH
CH3COOH
C6H5COOH
CH3NH2
State
g
g
g
g
l
l
g
g
g
g
g
g
g
g
l
l
l
l
l
g
l
l
g
l
g
l
l
l
l
s
g
g
l
l
l
s
g
∆H Öf /
kJ mol–1
–75
–85
–105
–127
–173
–199
52
20
0*
–8
–12
228
187
110
–156
49
12
–13
104
–82
–124
–135
–37
–16
–137
–91
11
–239
–277
–165
–109
–191
–248
–425
–485
–385
–23
∆G Öf /
kJ mol–1
–51
–33
–23
–16
–9
–4
68
75
72
66
63
209
194
152
27
125
111
120
203
–57
–63
–71
–26
13
–53
94
–166
–175
–48
–113
–128
–155
–361
–390
–245
32
SÖ /
J K–1 mol–1
186
230
270
310
261
296
220
267
306
301
296
201
248
279
204
173
320
255
345
235
178
202
246
163
240
161
219
160
129
160
243
* (–0.4)
8
Chemistry data booklet
State
g
s
s
g
g
g
g
g
l
l
l
l
g
g
g
l
l
s
g
l
l
l
l
l
l
Formula
H2
S
C
CO
CH4
C2H6
C3H8
C4H10
C5H12
C6H14
C8H18
C6H12
C2H4
C4H6
C2H2
C6H6
C6H5CH3
C10H8
C2H5Cl
C2H5Br
C2H5I
C6H5CH2Cl
CHCl3
CH3OH
C2H5OH
hydrogen
sulfur
carbon (graphite)
carbon monoxide
methane
ethane
propane
butane
pentane
hexane
octane
cyclohexane
ethene
buta-1,3-diene
ethyne
benzene
methylbenzene
naphthalene
chloroethane
bromoethane
iodoethane
(chloromethyl)benzene
trichloromethane
methanol
ethanol
(∆H c )
Substance
The values of the molar enthalpy of combustion
12. Enthalpies of combustion
–286
–297
–394
–283
–890
–1560
–2219
–2877
–3509
–4163
–5470
–3920
–1411
–2541
–1301
–3267
–3910
–5156
–1413
–1425
–1467
–3709
–474
–726
–1367
∆H c / kJ mol–1
propan-1-ol
butan-1-ol
cyclohexanol
phenol
ethoxyethane
methanal
ethanal
benzaldehyde
propanone
pentan-3-one
phenylethanone
methanoic acid
ethanoic acid
benzoic acid
ethanedioic acid
ethyl ethanoate
ethanamide
methylamine
ethylamine
phenylamine
nitrobenzene
urea
glucose
sucrose
Substance
C3H7OH
C4H9OH
C6H11OH
C6H5OH
(C2H5)2O
HCHO
CH3CHO
C6H5CHO
(CH3)2CO
(C2H5)2CO
CH3COC6H5
HCOOH
CH3COOH
C6H5COOH
(COOH)2
CH3COOC2H5
CH3CONH2
CH3NH2
C2H5NH2
C6H5NH2
C6H5NO2
CO(NH2)2
C6H12O6
C12H22O11
Formula
1
1
s
s
l
g
g
l
l
l
l
l
l
s
s
l
s
g
g
l
l
s
s
s
State
–2021
–2676
–3727
–3053
–2724
–571
–1167
–3525
–1817
–3100
–4149
–254
–874
–3227
–243
–2238
–1185
–1085
–1740
–3393
–3088
–632
–2803
–5640
∆H c / kJ mol–1
in the following table refer to a temperature of 298 K and a pressure of 1.01 × 105 Pa (1 atm).
Chemistry data booklet
Chemistry data booklet
9
Chemistry data booklet
13. Lattice enthalpies at 298 K (experimental and
theoretical values)
Ö
The lattice enthalpy values ( ∆H lattice ) given relate to the endothermic process for a solid crystal
breaking into gaseous ions.
For example, for an alkali metal halide:
MX(s) → M+(g) + X– (g)
Experimental values
The data in these two tables are experimental values obtained by means of a suitable Born–Haber
cycle.
Alkali
metal
halides
F
Cl
Br
I
Li
Na
K
Rb
Cs
1049
930
829
795
759
864
790
720
695
670
820
754
691
668
647
764
705
650
632
613
Other
substances
CaF2
BeCl2
MgCl2
CaCl2
SrCl2
BaCl2
MgO
CaO
SrO
BaO
10
Ö
∆H lattice
/ kJ mol–1
Ö
∆H lattice
/ kJ mol–1
2651
3033
2540
2271
2170
2069
3791
3401
3223
3054
Other substances
CuCl2
AgF
AgCl
AgBr
AgI
Ö
/ kJ mol–1
∆H lattice
2824
974
918
905
892
Chemistry data booklet
Chemistry data booklet
Theoretical values
These two tables contain lattice enthalpies calculated from electrostatic principles on the basis of
a purely ionic model for the crystal.
Ö
∆H lattice
/ kJ mol –1
Alkali metal
halides
Li
Na
K
Rb
Cs
F
Cl
Br
I
1030
910
808
774
744
834
769
701
680
657
788
732
671
651
632
730
682
632
617
600
Other
substances
CaF2
MgO
CaO
SrO
BaO
Chemistry data booklet
Ö
/ kJ mol–1
∆H lattice
2640
3795
3414
3217
3029
Other substances
AgF
AgCl
AgBr
AgI
Ö
∆H lattice
/ kJ mol–1
953
910
897
881
11
Chemistry data booklet
14. Standard electrode potentials
Oxidized species
Reduced species
EÖ / V
Li+(aq) + e –
Li(s)
–3.04
K+(aq) + e –
K(s)
–2.93
Ca2+(aq) + 2e –
Ca(s)
–2.87
Na+(aq) + e –
Na(s)
–2.71
Mg2+(aq) + 2e –
Mg(s)
–2.37
Al3+(aq) + 3e –
Al(s)
–1.66
Mn2+(aq) + 2e –
Mn(s)
–1.19
½H2(g) + OH– (aq)
–0.83
Zn2+(aq) + 2e –
Zn(s)
–0.76
Fe2+(aq) + 2e –
H2O(l) + e –
Fe(s)
–0.45
–
Ni(s)
–0.26
Sn2+(aq) + 2e –
Sn(s)
–0.14
Pb2+(aq) + 2e –
Pb(s)
–0.13
2+
Ni (aq) + 2e
H+(aq) + e –
½H2(g)
0.00
Cu2+(aq) + e –
Cu+(aq)
+0.15
H2SO3(aq) + H2O(l)
+0.17
Cu(s)
+0.34
2OH– (aq)
+0.40
Cu(s)
+0.52
SO42– (aq) + 4H+(aq) + 2e –
Cu2+(aq) + 2e –
½O2(g) + H2O(l) + 2e –
Cu+(aq) + e –
½I2(s) + e
–
I (aq)
+0.54
3+
–
2+
Fe (aq)
+0.77
+
Ag (aq) + e
–
Ag(s)
+0.80
½Br2(l) + e
–
–
Br (aq)
+1.07
H2O(l)
+1.23
2Cr3+(aq) + 7H2O(l)
+1.33
Cl– (aq)
+1.36
Mn2+(aq) + 4H2O(l)
+1.51
F– (aq)
+2.87
Fe (aq) + e
½O2(g) + 2H+(aq) + 2e –
Cr2O72– (aq) + 14H+(aq) + 6e –
½Cl2(g) + e –
MnO4 – (aq) + 8H+(aq) + 5e –
½F2(g) + e –
12
–
Chemistry data booklet
Chemistry data booklet
15. Strengths of organic acids and bases
The acid strengths in the following tables are given in terms of pKa values, where
pKa = –log10 Ka.
The dissociation constant Ka values are for aqueous solutions at 298 K.
Base strengths are given in terms of pKb values.
Carboxylic acids
Name
Formula
pKa
methanoic
ethanoic
propanoic
butanoic
2-methylpropanoic
pentanoic
2,2-dimethylpropanoic
benzoic
phenylethanoic
HCOOH
CH3COOH
CH3CH2COOH
CH3(CH2)2COOH
(CH3)2CHCOOH
CH3(CH2)3COOH
(CH3)3CCOOH
C6H5COOH
C6H5CH2COOH
3.75
4.76
4.87
4.83
4.84
4.83
5.03
4.20
4.31
Halogenated carboxylic acids
Name
Formula
pKa
chloroethanoic
dichloroethanoic
trichloroethanoic
fluoroethanoic
bromoethanoic
iodoethanoic
CH2ClCOOH
CHCl2COOH
CCl3COOH
CH2FCOOH
CH2BrCOOH
CH2ICOOH
2.87
1.35
0.66
2.59
2.90
3.18
Name
Formula
pKa
phenol
2-nitrophenol
3-nitrophenol
4-nitrophenol
2,4-dinitrophenol
2,4,6-trinitrophenol
C6H5OH
O2NC6H4OH
O2NC6H4OH
O2NC6H4OH
(O2N)2C6H3OH
(O2N)3C6H2OH
9.99
7.23
8.36
7.15
4.07
0.42
Phenols
Chemistry data booklet
13
Chemistry data booklet
Alcohols
Name
Formula
pKa
methanol
ethanol
CH3OH
C2H5OH
15.5
15.5
Name
Formula
pKb
ammonia
methylamine
ethylamine
dimethylamine
trimethylamine
diethylamine
triethylamine
phenylamine
NH3
CH3NH2
CH3CH2NH2
(CH3)2NH
(CH3)3N
(C2H5)2NH
(C2H5)3N
C6H5NH2
4.75
3.34
3.35
3.27
4.20
3.16
3.25
9.13
Amines
16. Acid–base indicators
Indicator
methyl orange
bromophenol blue
bromocresol green
methyl red
bromothymol blue
phenol red
phenolphthalein
14
pKa
3.46
4.10
4.90
5.00
7.30
8.00
9.50
pH range
3.2–4.4
3.0–4.6
3.8–5.4
4.8–6.0
6.0–7.6
6.6–8.0
8.2–10.0
Colour change
Acid
Alkali
red
yellow
yellow
red
yellow
yellow
colourless
yellow
blue
blue
yellow
blue
red
pink
Chemistry data booklet
Chemistry data booklet
17. Infrared data
Characteristic ranges for infrared absorption due to stretching vibrations in organic
molecules.
Bond
Organic molecules
Wavenumber / cm–1
iodoalkanes
490–620
C–Br
bromoalkanes
500–600
C–Cl
chloroalkanes
600–800
C–F
fluoroalkanes
1000–1400
C–O
alcohols, esters, ethers
1050–1410
C=C
alkenes
1610–1680
C=O
aldehydes, ketones, carboxylic acids
and esters
1700–1750
C≡C
alkynes
2100–2260
O–H
hydrogen bonding in carboxylic acids
2500–3300
C–H
alkanes, alkenes, arenes
2850–3100
O–H
hydrogen bonding in alcohols and
phenols
3200–3600
N–H
primary amines
3300–3500
C–I
Chemistry data booklet
15
Chemistry data booklet
18. 1H NMR data
Typical proton chemical shift values (δ) relative to tetramethylsilane (TMS) = 0.
R represents an alkyl group, and Hal represents F, Cl, Br, or I.
These values may vary in different solvents and conditions.
Type of proton
CH3
0.9–1.0
CH2 R
1.3–1.4
CHR2
1.4–1.6
O
C
RO
Chemical shift / ppm
2.0–2.5
CH2
O
C
R
2.2–2.7
CH2
CH3
H
1.8–3.1
CH2 Hal
3.5–4.4
O
3.3–3.7
C
R
2.5–3.5
C
CH 2
O
R
C
3.8–4.1
CH2
O
O
C
R
R
O
HC
H
4.0–12.0
CH2
4.5–6.0
O
R
16
C
9.0–13.0
H
O
H
OH
4.0–12.0
H
6.9–9.0
9.4–10.0
Chemistry data booklet
Chemistry data booklet
19. 2-Amino acids
Common name
Symbol
alanine
Ala
H 2N
CH
COOH
6.0
CH 3
H 2N
arginine
pH of isoelectric
point
Structural formula
CH
COOH
CH2 CH 2 CH2 NH
Arg
C
NH 2
10.8
NH
H 2N
asparagine
CH
Asn
COOH
CH 2 C
NH 2
5.4
O
aspartic acid
Asp
cysteine
Cys
glutamic acid
Glu
H 2N
COOH
CH 2 COOH
H 2N
CH
COOH
CH2 SH
H2N
CH
COOH
CH 2 CH2 COOH
H 2N
glutamine
CH
Gln
CH
2.8
5.1
3.2
COOH
CH2 CH 2 C
NH2
5.7
O
glycine
Gly
H 2N
CH2 COOH
H2N
CH
6.0
COOH
CH 2
histidine
His
7.6
N
N
H
isoleucine
Ile
H 2N
CH
COOH
H3C
CH
CH 2 CH3
H 2N
leucine
H2N
Chemistry data booklet
Lys
COOH
CH 2
Leu
H3C
lysine
CH
CH
CH
6.0
6.0
CH 3
COOH
CH 2 CH2 CH 2 CH 2 NH2
9.7
17
Chemistry data booklet
Common name
Symbol
methionine
Met
phenylalanine
Phe
Structural formula
H 2N
CH
COOH
CH2 CH 2 S CH3
H 2N CH COOH
H 2N CH COOH
CH2 CH 2 S CH3
CH2
pH of isoelectric
point
5.7
5.5
COOH
proline
Pro
serine
Ser
threonine
Thr
HN
H 2N
6.3
CH
COOH
CH 2 OH
H 2N
CH
COOH
H 3C
CH
OH
H 2N
CH
COOH
5.7
5.6
CH2
tryptophan
5.9
Trp
N
H
H 2N
CH
COOH
CH2
tyrosine
5.7
Tyr
OH
valine
18
Val
H 2N
CH
COOH
H 3C
CH
CH 3
6.0
Chemistry data booklet
Chemistry data booklet
20. Structural formulas of some medicines
and drugs
C
CH3
OH
O
H 2C
OH
C
CH3
H
O
H 3C
C
O
N
H
O
C
H 3C
CH 3
aspirin
H 3C
H2
C
N
CH 2
H 3C
H2
C
N
COOH
H
paracetamol (acetaminophen)
OH
C
ibuprofen
OH
CH 2
H 3C
O
O
H2
C
N
CH 2
C
CH3
O
O
O
O
OH
O
morphine
CH2
CH 3
codeine
CH
NH 2
CH3
HO
O
C
CH3
diamorphine (heroin)
OH
H
CH
N
CH2
O
CH 3
H3C
O
HO
CH 3
N
N
N
N
CH3
amphetamine
epinephrine (adrenaline)
R
N
CH3
N
C
H
N
O
O
H 3C
S
N
Chemistry data booklet
O
penicillin
(general structure)
O
N
CH 3
CH 3
C
HO
nicotine
caffeine
Cl
N
diazepam (Valium®)
19
Chemistry data booklet
H
O
O
N
N
O 2N
N
N
H 2N
N
H
N
N
H
O
H 2C
nitrazepam (Mogadon®)
indole
CH 2
CH2
OH
acyclovir
O
H 3C
O
O
CH 3
H 3C
O
N
H 3C
CH 3
cocaine
N
CH 2
CH 2
N
NH
C
O
lysergic acid diethylamide (LSD)
F 3C
O
CH 2
CH2
NH2+ Cl
_
CH3
fluoxetine hydrochloride (Prozac®)
CH 3
O
OH
N
O
NH
H 3C
O
CH 3
CH2
CH2
CH2
CH 2
O
CH3
O
thalidomide
tetrahydrocannabinol (THC)
H
O
O
P
H 3C
_
O
CH 2
N
H
CH 3
N+ H
CH2
H 3CO
CH 2
CH2
NH 2
Cl
Cl
H 3CO
OCH 3
Pt
NH3
NH3
cisplatin
mescaline
psilocybin
20
Chemistry data booklet
Chemistry data booklet
21. Structural formulas of some biological molecules
CH2OH
CH 2OH
O
O
HO
H
H
H
H
H
OH
OH H
O
H
H
OH
H
OH
H
CH2OH
O H HO CH 2
H
O
H
OH H
H HO
O
HO
CH 2OH
H
H
OH
lactose
H
sucrose
CH 3
CH3
CH
OH
OH
CH
C
CH
O
CH3
CH
CH
C
CH
CH2
OH
OH
O
CH 3
CH 3
HO
HC
OH
CH 2
retinol (vitamin A)
HO
ascorbic acid (vitamin C)
H3C
CH 3
CH 2
H CH 2
CH2
CH
C
CH 3
H3C
CH 2
CH 3
H CH 2
CH2
CH
C
CH 3
CH3
CH3
CH3
HC
HO
CH
CH 2
cholesterol
HO
vitamin D
CH 3 OH
H 3C
CH 3 C
CH 3 OH
O
CH 3
CH 3
HO
O
O
estradiol
Chemistry data booklet
progesterone
testosterone
21
Chemistry data booklet
OH
HO
CH
I
H
CH2
N
I
O
HO
I
CH 3
HO
NH 2
C
OH
CH 2 H C
I
O
epinephrine (adrenaline)
thyroxine
O
NH2
N
HC
C
N
C
C
H
N
CH
N
H2N
H
adenine
N
C
C
N
NH2
C
C
N
N
CH
N
O
H
O
N
C
C
N
N
CH
CH
H
guanine
cytosine
O
H
C
C
O
H
CH
CH
O
H
N
C
C
N
CH 3
C
CH
H
uracil
thymine
22. Structural formulas of some food chemistry
molecules
Natural pigments
Anthocyanins
R
R
OH
O
O
R
O
O+
HO
glucose
OH
quinoidal base (blue)
22
OH
R
O
glucose
OH
flavylium cation (red)
Chemistry data booklet
Chemistry data booklet
Carotenes
H 3C
CH3
CH
CH3
C
CH
H3C
CH3
CH
CH
CH
C
CH
CH
CH
CH
C
CH
CH
CH
CH3
CH3
CH
C
CH 3
CH
H 3C
CH 3
α-carotene
H 3C
CH 3
CH
CH3
C
CH
H 3C
CH 3
CH
CH
CH
C
CH
CH
CH
CH
C
CH
CH
CH
CH 3
CH3
CH
C
CH3
CH
H3C
CH3
β-carotene
Porphyrins
OH
O
H 2C
CH 2
H 3C
H 2C
N
O
H 3C
C
H
CH 3
H 3C
H2C
CH
H
H2C
O
CH
N
H 3C
N
CH 3
Mg
HC
R=CH3 (Chlorophyll a)
R=CHO (Chlorophyll b)
CH 2
N
N
CH
N
R
N
CH3
N
CH 2
HC
CH 2
Fe
HC
H 2C
HO
CH3
H
CH 2 H C
O
O
O
C
O
CH 3
C20H39
heme B
chlorophyll
Preservatives
OH
OH
CH 3
C
CH3
CH3
C
O
CH3
CH3
CH 3
2-tert-butyl-4-hydroxyanisole
(2-BHA)
Chemistry data booklet
CH3
O
CH3
3-tert-butyl-4hydroxyanisole (3-BHA)
H 3C
H 3C
CH3
OH
C
CH3
CH 3
C
CH 3
CH 3
3,5-di-tert-butyl-4hydroxytoluene (BHT)
23
Chemistry data booklet
Fatty acids
Fatty acid
Formula
Octanoic acid
CH3(CH2)6COOH
Lauric acid
CH3(CH2)10COOH
Stearic acid
CH3(CH2)16COOH
Oleic acid
CH3(CH2)7CH═CH(CH2)7COOH
Linoleic acid
CH3(CH2)4(CH═CHCH2)2(CH2)6COOH
Linolenic acid
CH3CH2(CH═CHCH2)3(CH2)6COOH
23. References
The data in tables 4–16 can be found in the following three sources.
Lide, DR. 2008. CRC Handbook of Chemistry and Physics. Boca Raton, USA. CRC Press.
Copyright 2008 by CRC Handbook of Chemistry and Physics. David R Lide. Reproduced by
permission from Taylor and Francis Group, LLC, a division of Informa plc.
NVON. 2007. Binas. English Edition. Groningen, The Netherlands. Wolters–Noordhoff.
Royal Society of Chemistry. 2002. Royal Society of Chemistry Electronic Data Book CD-Rom.
London, UK. Reproduced by permission of The Royal Society of Chemistry.
For tables 17 and 18, in addition to the sources above, the data were informed by the following.
Aylward, G and Findlay, T. 2002. SI Chemical Data. 5th Edition. Queensland, Australia. John
Wiley & Sons.
Clugston, M and Flemming, R. 2000. Advanced Chemistry. Oxford, UK. Oxford University
Press.
Morrison, RT and Boyd, RN. 1987. Organic Chemistry. 5th Edition. Boston, Massachusetts,
USA. Allyn and Bacon, Inc.
24
Chemistry data booklet