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IB Chemistry Data Booklet: Equations, Constants & Tables
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Chemistry data booklet For use during the course and in the examinations First assessment 2025 Version 1.0 Diploma Programme Chemistry data booklet Published February 2023 Published on behalf of the International Baccalaureate Organization, a not-for-profit educational foundation of 15 Route des Morillons, 1218 Le Grand-Saconnex, Geneva, Switzerland by the International Baccalaureate Organization (UK) Ltd Peterson House, Malthouse Avenue, Cardiff Gate Cardiff, Wales CF23 8GL United Kingdom Website: ibo.org © International Baccalaureate Organization 2023 The International Baccalaureate Organization (known as the IB) offers four high-quality and challenging educational programmes for a worldwide community of schools, aiming to create a better, more peaceful world. This publication is one of a range of materials produced to support these programmes. The IB may use a variety of sources in its work and check information to verify accuracy and authenticity, particularly when using community-based knowledge sources such as Wikipedia. The IB respects the principles of intellectual property and makes strenuous efforts to identify and obtain permission before publication from rights holders of all copyright material used. The IB is grateful for permissions received for material used in this publication and will be pleased to correct any errors or omissions at the earliest opportunity. All rights reserved. No part of this publication may be reproduced, stored in a retrieval system, or transmitted, in any form or by any means, without the IB’s prior written permission, or as expressly permitted by the Rules for use of IB Intellectual Property. IB merchandise and publications can be purchased through the IB Store (email: sales@ ibo.org). Any commercial use of IB publications (whether fee-covered or commercial) by third parties acting in the IB’s ecosystem without a formal relationship with the IB (including but not limited to tutoring organizations, professional development providers, educational publishers and operators of curriculum mapping or teacher resource digital platforms, etc.) is prohibited and requires a subsequent written licence from the IB. Licence requests should be sent to copyright@ibo.org. More information can be obtained on the IB public website. International Baccalaureate, Baccalauréat International, Bachillerato Internacional and IB logos are registered trademarks of the International Baccalaureate Organization. ii Contents Introduction.. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 ........................................ 2 1. Some relevant equations. . . . . . . . . . . . . . 1 2. Physical constants. . . . . . . . . . . . .2. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 3. Metric (SI) multipliers. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 2 4. Unit conversions and standard conditions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 5. The electromagnetic spectrum. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3. . . . . . . . 5 6. Names of the elements.. . . . . . . . . .5. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6 7. The periodic table. . . . . . . . . . . . . . .6. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8 8. Melting points and boiling points of the elements at 101.325 kPa. . . . . . . . .7. . . . . . . . . 9 . . . . 10 9. First ionization energy, electron affinity and electronegativity of the elements. . 8 10. Atomic and ionic radii of the elements. . . . . . . . . . . 9. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11 . . . . . . . . . . . . . . . . . . . . . . . 12 11. Covalent or average covalent bond lengths. . . . . . . . . . . . .10 . . . . . . . . . . . . . . . . . 13 12. Bond enthalpies or average bond enthalpies at 298.15 K. . . . . .11 . . . . . . . . . . . . . . . . . . . . . . . . . . . 14 13. Thermodynamic data (selected compounds).. . . . . . .12 13 14. Enthalpies of combustion. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 . . . . . . . . . . . . . . . . . . . . 16 15. Colour wheel with wavelengths of the visible spectrum. . . . .17 18 16. Lattice enthalpies at 298.15 K (experimental values). . . . . . . . . . . . . . . . . . . . . . . . . . . 17 . . . . . . . . . . . . . . . . . . . 18 17. Triangular bonding diagram (van Arkel–Ketelaar triangle). . . .29 22 18. Acid–base indicators.. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 19. Standard reduction potentials at 298.15 K. . . . . .24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21 20. Infrared data. . . . . . . .26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22 21. 1H NMR data. . . . . . . . . . . . . . . . . . . .27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23 22. Mass spectral fragments lost. . . . . . . . . . . . . . . . .28 23. References. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24 Chemistry data booklet iii This page is intentionally blank. iv Chemistry data booklet Introduction This Diploma Programme (DP) Chemistry data booklet accompanies the DP Chemistry guide and DP Chemistry teacher support material. It contains chemical and physical equations and constants, chemical symbols, the periodic table, and other chemical data relevant to the course. Students must have access to a copy of this booklet for the duration of the course, so that they can become familiar with its contents. Direct reference is made to relevant equations in the “Understandings” sections of the guide. This helps to maintain the emphasis on interpretation and application rather than memorization of symbols, constants and equations. Each student must have access to a clean copy of the Chemistry data booklet during examinations. It is the responsibility of the school to download a copy of this booklet from IBIS or the Programme Resource Centre and to ensure that there are sufficient copies available for all students. Chemistry data booklet 1 1. Some relevant equations Equation c f E =hf n= m M n CV PV = nRT PV PV 1 1 = 2 2 T1 T2 Q mc T % atom economy molar mass of desired product 100 molar mass of all reactants ∆HÖ = ∑(∆HfÖproducts) − ∑(∆HfÖreactants) ∆HÖ = ∑(∆HcÖreactants) − ∑(∆HcÖproducts) ∆GÖ = ∆HÖ − T∆SÖ ∆G = ∆GÖ + RT ln Q ∆GÖ = −RT ln K ∆GÖ = −nFEÖ k ln k Ea Ae RT Ea RT ln A pH = −log10 [H3O+] or pH = −log10 [H+] Kw = [H+] [OH−] pOH = −log10 [OH−] 2 Chemistry data booklet 2. Physical constants Quantity Symbol Approximate value Elementary charge e 1.602177 × 10−19 C Electron rest mass me 9.109384 × 10−31 kg Proton rest mass mp 1.672622 × 10−27 kg Neutron rest mass mn 1.674927 × 10−27 kg Speed of light in vacuum c 3.00 × 108 m s−1 Planck constant h 6.63 × 10−34 J s Avogadro constant NA 6.02 × 1023 mol−1 Gas constant R 8.31 J K−1 mol−1 Molar volume of an ideal gas at STP Vm 2.27 × 10−2 m3 mol−1 = 22.7 dm3 mol−1 Specific heat capacity of water cw 4.18 kJ kg−1 K−1 = 4.18 J g−1 K−1 Ionic product constant for water at 298.15 K Kw 1.00 × 10−14 mol2 dm−6 Faraday constant F 9.65 × 104 C mol−1 Chemistry data booklet 3 3. Metric (SI) multipliers 4 Prefix Abbreviation Value peta P 1015 tera T 1012 giga G 109 mega M 106 kilo k 103 hecto h 102 deca da 101 deci d 10−1 centi c 10−2 milli m 10−3 micro μ 10−6 nano n 10−9 pico p 10−12 femto f 10−15 Chemistry data booklet 4. Unit conversions and standard conditions Temperature (K) = temperature (°C) + 273.15 1dm3 = 1 litre = 1 × 10−3 m3 = 1 × 103 cm3 STP conditions: 273.15 K and 100 kPa SATP conditions: 298.15 K and 100 kPa 5. The electromagnetic spectrum increasing energy 10 −16 10 −14 10 −12 10 −10 10 −8 10 −6 10 −4 10 −2 100 -rays X-rays UV microwaves IR 102 10 4 106 108 wavelength / m radio waves V I B G Y O R 400 Chemistry data booklet wavelength / nm 700 5 6 Chemistry data booklet Symbol Ac Al Am Sb Ar As At Ba Bk Be Bi Bh B Br Cd Cs Ca Cf C Ce Cl Cr Co Cn Cu Cm Ds Db Element actinium aluminium americium antimony argon arsenic astatine barium berkelium beryllium bismuth bohrium boron bromine cadmium caesium calcium californium carbon cerium chlorine chromium cobalt copernicium copper curium darmstadtium dubnium 6. Names of the elements 89 13 95 51 18 33 85 56 97 4 83 107 5 35 48 55 20 98 6 58 17 24 27 112 29 96 110 105 Atomic number dysprosium einsteinium erbium europium fermium flerovium fluorine francium gadolinium gallium germanium gold hafnium hassium helium holmium hydrogen indium iodine iridium iron krypton lanthanum lawrencium lead lithium livermorium lutetium Element Fe Kr La Lr Pb Li Lv Lu I Ir Dy Es Er Eu Fm Fl F Fr Gd Ga Ge Au Hf Hs He Ho H In Symbol 66 99 68 63 100 114 9 87 64 31 32 79 72 108 2 67 1 49 53 77 26 36 57 103 82 3 116 71 Atomic number Chemistry data booklet 7 magnesium manganese meitnerium mendelevium mercury molybdenum moscovium neodymium neon neptunium nickel nihonium niobium nitrogen nobelium oganesson osmium oxygen palladium phosphorus platinum plutonium polonium potassium praseodymium promethium protactinium radium radon rhenium rhodium Element Mg Mn Mt Md Hg Mo Mc Nd Ne Np Ni Nh Nb N No Og Os O Pd P Pt Pu Po K Pr Pm Pa Ra Rn Re Rh Symbol 12 25 109 101 80 42 115 60 10 93 28 113 41 7 102 118 76 8 46 15 78 94 84 19 59 61 91 88 86 75 45 Atomic number roentgenium rubidium ruthenium rutherfordium samarium scandium seaborgium selenium silicon silver sodium strontium sulfur tantalum technetium tellurium tennessine terbium thallium thorium thulium tin titanium tungsten uranium vanadium xenon ytterbium yttrium zinc zirconium Element Rg Rb Ru Rf Sm Sc Sg Se Si Ag Na Sr S Ta Tc Te Ts Tb Tl Th Tm Sn Ti W U V Xe Yb Y Zn Zr Symbol 111 37 44 104 62 21 106 34 14 47 11 38 16 73 43 52 117 65 81 90 69 50 22 74 92 23 54 70 39 30 40 Atomic number 8 Chemistry data booklet 7 6 5 4 3 2 1 20 39 38 57 56 89 88 Ra (226) Fr (223) ‡ † (227) Ac ‡ 137.33 132.91 87 138.91 Ba Cs La † 87.62 85.47 55 88.91 Sr Y 44.96 40.08 21 Sc 3 Rb 37 39.10 Ca 19 K 24.31 12 Mg 9.01 4 Be 2 22.99 Na 11 6.94 Li 3 1.01 H 1 1 91 232.04 231.04 Pa 90 Th 140.91 59 Pr (268) Db 105 180.95 73 Ta 92.91 41 Nb 50.94 V 23 5 140.12 58 Ce (267) Rf 104 178.49 72 Hf 91.22 40 Zr 47.87 Ti 22 4 7. The periodic table 238.03 U 92 144.24 60 Nd (269) Sg 106 183.84 74 W 95.96 42 Mo 52.00 24 Cr 6 8 (237) 93 Np (145) 61 Pm (270) Bh 107 186.21 75 Re (98) 43 Tc 54.94 25 Mn (244) 94 Pu 150.36 62 Sm (269) Hs 108 190.23 76 Os 101.07 44 Ru 55.85 26 Fe Relative atomic mass Element Atomic number 7 (243) 95 Am 151.96 63 Eu (278) Mt 109 192.22 Ir 77 102.91 45 Rh 58.93 27 Co 9 (247) 96 Cm 157.25 64 Gd (281) Ds 110 195.08 78 Pt 106.42 46 Pd 58.69 28 Ni 10 (247) 97 Bk 158.93 65 Tb (281) Rg 111 196.97 79 Au 107.87 47 Ag 63.55 29 Cu 11 (251) 98 Cf 162.50 66 Dy (285) Cn 112 200.59 80 Hg 112.41 48 Cd 65.38 30 Zn 12 (252) 99 Es 164.93 67 Ho (286) Nh 113 204.38 Tll 81 114.82 49 In 69.72 31 Ga 26.98 13 All 10.81 5 B 13 (257) 100 Fm 167.26 68 Er (289) (258) 101 Md 168.93 69 Tm (288) Mc 115 114 Fl 208.98 83 Bi 121.76 51 Sb 74.92 33 As 30.97 P 15 14.01 7 N 15 207.20 82 Pb 118.71 50 Sn 72.63 32 Ge 28.09 14 Si 12.01 6 C 14 (259) No 102 173.05 70 Yb (293) Lv 116 (209) 84 Po 127.60 52 Te 78.96 34 Se 32.07 S 16 16.00 8 O 16 Lr (262) 103 174.97 71 Lu (294) Ts 117 (210) 85 At 126.90 Og (294) 118 (222) 86 Rn 131.29 Xe 54 I 83.80 53 36 Kr 39.95 18 Ar 20.18 10 Ne 4.00 2 He 18 79.90 35 Br 35.45 17 Cll 19.00 9 F 17 Chemistry data booklet 9 650.0 1090 842.0 1484 768.8 1377 725.0 1845 699.8 1140 97.79 882.9 63.38 758.8 39.30 687.8 28.44 670.8 27.00 676.8 Fr Cs Rb K Na Ra Ba Sr Ca Mg 2468 1342 Li 1287 180.5 ‡ † 3200 1050 Ac ‡ 3464 La † 920.0 3345 Y 1522 2836 Sc 1541 1572 (4000) 1750 4788 Pa 3510 3433 Th 935 Pr 5455 Ta 3017 4741 Nb 2477 3407 V 1910 795 Ce 4600 Hf 2233 4406 Zr 1854 3287 Ti 1670 3818 U 1135 3074 Nd 1024 5555 W 3414 4639 Mo 2622 2671 Cr 1907 (3900) Np 637 (2730) Pm 1042 5900 Re 3453 4262 Tc 2157 2061 Mn 1246 3230 Pu 640 1791 Sm 1072 5008 Os 3033 4147 Ru 2333 2861 Fe 1538 Boiling point / °C Element −252.9 Be Melting point / °C H −259.2 (2067) Am 1176 1596 Eu 826 4428 Ir 2446 3695 Rh 1963 2927 Co 1495 3110 Cm 1340 3273 Gd 1313 3825 Pt 1768 2963 Pd 1555 2913 Ni 1455 (2623) Bk 986 3230 Tb 1360 2836 Au 1064 2162 Ag 961.8 2560 Cu 1085 Cf 900 2567 Dy 1410 356.6 Hg −38.83 766.8 Cd 321.1 907.0 Zn 419.5 Es (860) 2694 Ho 1472 1473 Tll 303.8 2027 In 156.6 2229 Ga 29.77 2519 All 660.3 4000 B 2077 Fm 2900 Er 1529 1749 Pb 327.5 2586 Sn 231.9 2833 Ge 938.2 3265 Si 1414 4827 C 3500 827 Md 1950 Tm 1545 1564 Bi 271.4 1587 Sb 630.6 613.0 As 816.8 280.5 P 44.15 −195.8 N −210.0 O No 1194 Yb 824 962.0 Po 253.8 987.8 Te 449.5 684.8 Se 220.8 444.6 S 115.2 −183.0 −218.8 8. Melting points and boiling points of the elements at 101.325 kPa Ne Ar Lu Lr 3402 1663 336.8 At 301.8 184.4 Rn −61.85 −71.15 −108.1 Xe −111.8 I 113.7 Kr −153.4 −157.4 −185.8 −189.3 −246.0 −248.6 58.78 Br −7.050 −34.04 Cll −101.5 −188.1 F −219.7 He −268.9 10 Chemistry data booklet Li K Fr 0.9 Ra ‡ † 1.1 Ac ‡ −34 1.1 Hf 1.3 Th 609 1.1 1.5 Pa 568 1.1 Pr W 1.7 U 1.7 598 1.1 Nd 1.9 Re Tc 2.1 605 1.3 Np Pm −93 533 −185 539 Ta 1.5 −79 756 2.2 Mo −31 759 1.6 1.6 Fe 1.8 −15 760 1.9 Co 1.3 Pu 581 1.2 Sm 545 2.2 Os Am 576 2.2 Pd Cm 578 1.2 Pt 2.2 Gd −83 593 Ir 2.2 Eu 547 1.6 Zn 1.9 Ag 1.7 Cd −54 731 −126 868 1.9 Cu Bk 598 Tb 606 Cf 1.2 1.9 B All In Tll Es 619 1.2 Ho 2.0 Ge F 2.6 S 3.2 Cll 4.0 Ar Ne 2.2 2.6 Se Br 3.0 Kr −78 941 −195 1140 −325 1351 As Er Fm 627 1.2 589 1.8 Pb Md 635 1.3 2.0 Po No 642 Yb −99 603 Tm 597 1.9 Bi Te 2.1 Lr −33 At 2.2 1.0 473 Xe Rn −270 1037 I 2.7 Lu 2 524 −91 812 −183 2.0 Sb −35 703 2.0 Sn −36 716 1.8 589 O 3.4 −29 709 −107 831 −101 869 −190 1008 −295 1170 1.8 558 1.8 P 2.2 −41 762 −119 944 Ga 579 1.9 Si N 3.0 1314 −141 1681 −328 2081 (+753) He 2372 −42 787 −134 1012 −72 1000 −200 1251 −349 1520 (+545) 1.6 578 C 2.6 −27 1086 −122 1402 2.0 801 < 0 581 Hg Dy 566 −112 573 2.4 Au −151 864 −205 890 −223 1007 2.3 Rh −14 814 −106 865 2.2 Ru Ni −112 745 −119 906 1.9 −64 737 −53 710 −101 720 −110 804 Mn −72 702 Cr 762 Electronegativity Element Electron affinity (EA) / kJ mol−1 (2nd EA / kJ mol−1) −64 717 1.7 −88 684 Nb −1 728 −63 528 1.3 Ce 534 Zr V −51 653 1.6 −8 651 First ionization energy / kJ mol−1 −41 652 1.3 −45 659 La † −10 499 0.9 Ba −47 509 0.7 393 0.8 Y Ti 1.5 −30 640 1.2 −5 600 1.4 −18 659 Sc −2 633 −14 538 1.0 −46 503 Cs 376 0.8 Sr 1.0 Ca −47 549 Rb 403 1.3 −48 590 0.8 419 0.9 Mg −53 738 Na 496 1.6 Be −60 900 1.0 520 2.2 H 1312 −73 9. First ionization energy, electron affinity and electronegativity of the elements Chemistry data booklet 11 140 72 (2+) 174 100 (2+) 190 118 (2+) 206 135 (2+) 211 160 102 (1+) 200 138 (1+) 215 152 (1+) 238 167 (1+) 242 Fr Cs Rb K Na Ra Ba Sr Ca Mg 45 (2+) Be 76 (1+) Li 99 130 H 32 ‡ † 201 Ac ‡ 103 (3+) 194 La † 90 (3+) Y 176 75 (3+) Sc 159 184 190 94 (4+) 104 (3+) 90 (4+) Pa 99 (3+) 85 (4+) 101 (3+) 87 (4+) Th 190 Pr 64 (5+) Ta 158 72 (3+) 64 (5+) Nb 156 79 (2+) 54 (5+) V 144 184 Ce 71 (4+) Hf 164 72 (4+) Zr 164 86 (2+) 61 (4+) Ti 148 89 (4+) 73 (6+) U 183 98 (3+) Nd 188 66 (4+) 60 (6+) W 150 65 (4+) 146 Mo 62 (3+) 44 (6+) Cr 130 101 (3+) 87 (4+) Np 180 97 (3+) 186 Pm 63 (4+) 53 (7+) Re 141 65 (4+) Tc 138 83 (2+) 53 (4+) 129 Mn 100 (3+) 86 (4+) Pu 180 96 (3+) 185 Sm 63 (4+) 55 (6+) Os 136 68 (3+) 62 (4+) Ru 136 61 (2+) 55 (3+) Fe 124 Ionic radius / 10−12 m (charge) Element Atomic radius / 10−12 m 98 (3+) 85 (4+) 173 Am 117 (2+) 95 (3+) Eu 183 68 (3+) 63 (4+) Ir 132 67 (3+) 60 (4+) Rh 134 65 (2+) 55 (3+) Co 118 The values for atomic radii used in this table are the covalent radii of the elements. 97 (3+) 168 Cm 94 (3+) Gd 182 80 (2+) 63 (4+) Pt 130 86 (2+) 62 (4+) Pd 130 69 (2+) Ni 117 10. Atomic and ionic radii of the elements 96 (3+) Bk 168 92 (3+) 76 (4+) Tb 181 137 (1+) 85 (3+) Au 130 115 (1+) Ag 136 77 (1+) 73 (2+) Cu 122 95 (3+) Cf 168 91 (3+) Dy 180 119 (1+) 102 (2+) Hg 132 95 (2+) Cd 140 74 (2+) Zn 120 Es 165 90 (+3) Ho 179 150 (1+) 89 (3+) Tll 144 80 (+3) In 142 62 (3+) Ga 123 54 (3+) All 124 27 (3+) B 84 167 Fm 89 (3+) Er 177 119 (2+) 78 (4+) Pb 145 118 (2+) 69 (4+) Sn 140 53 (4+) 272 (4−) Ge 120 40 (4+) Si 114 16 (4+) C 75 O 64 173 Md 88 (3+) 177 Tm 103 (3+) 76 (5+) Bi 150 76 (3+) Sb 140 58 (3+) 46 (5+) As 120 38 (5+) P 109 110 (2+) No 176 87 (3+) Yb 178 97 (4+) Po 142 221 (2−) Te 137 198 (2−) Se 118 184 (2−) S 104 146 (3−) 140 (2−) N 71 Lu Lr 161 86 (3+) 174 At 148 220 (1−) I 136 196 (1−) Br 117 181 (1−) Cll 100 133 (1−) F 60 Rn 146 Xe 136 Kr 116 Ar 101 62 Ne 37 He 11. Covalent or average covalent bond lengths Single bonds Bond Length / 10 −12 m Bond Length / 10 −12 m Bond Length / 10 −12 m Bond Length / 10 −12 m H―H 74 N―H 101 Si ― H 148 S―H 134 H―F 92 N―N 146 Si ― Si 232 S―S 205 H ― Cl 128 N―O 136 Si ― S 215 S―F 158 H ― Br 141 N ― Si 174 Si ― F 156 S ― Cl 199 H―I 160 N―S 175 Si ― Cl 202 S ― Br 227 N―F 136 Si ― Br 216 Si ― I 243 C―H 108 N ― Cl 197 C―C 154 N ― Br 214 C―N 147 C―O 143 O―H C ― Si 185 C―P F―F 142 F ― Cl 163 P―H 142 F ― Br 176 97 P―P 221 F―I 257 O―O 148 P―S 210 184 O ― Si 163 P―F 154 Cl ― Cl 199 C―S 182 O―P 154 P ― Cl 203 Cl ― Br 214 C―F 138 O―S 161 P ― Br 220 Cl ― I 232 C ― Cl 177 O―F 142 P―I 247 C ― Br 194 O ― Cl 170 Br ― Br 228 C―I 214 Br ― I 247 I―I 267 Multiple bonds 12 Bond Length / 10 −12 m Bond Length / 10 −12 m Bond Length / 10 −12 m C|C 134 N|N 125 O|O 121 C|N 130 N|O 114 O|S 143 C|O 122 C|S 156 S|S 189 C~C 120 C~N 116 C~O 113 N~N 110 Chemistry data booklet 12. Bond enthalpies or average bond enthalpies at 298.15 K Single bonds Bond Enthalpy / kJ mol−1 Bond Enthalpy / kJ mol−1 Bond Enthalpy / kJ mol−1 Bond Enthalpy / kJ mol−1 H―H 436 N―H 391 Si ― H 323 S―H 364 H―F 567 N―N 158 Si ― Si 226 S―S 266 H ― Cl 431 N―O 214 Si ― S 293 S―F 327 H ― Br 366 N―F 278 Si ― F 597 S ― Cl 271 H―I 298 N ― Cl 192 Si ― Cl 400 S ― Br 218 Si ― Br 330 Si ― I 234 F―F 159 F ― Cl 255 C―H 414 O―H 463 C―C 346 O―O 144 C―N 286 O ― Si 466 P―H 322 F ― Br 249 C―O 358 O―P 363 P―P 198 F―I 280 C ― Si 307 O―F 191 P―F 490 C―P 264 O ― Cl 206 P ― Cl 322 Cl ― Cl 242 C―S 289 O ― Br 201 P ― Br 264 Cl ― Br 219 C―F 492 O―I 201 P―I 184 Cl ― I 211 C ― Cl 324 C ― Br 285 Br ― Br 193 C―I 228 Br ― I 178 I―I 151 Multiple bonds Bond Enthalpy / kJ mol−1 Bond Enthalpy / kJ mol−1 Bond Enthalpy / kJ mol−1 C|C 614 N|N 470 O|O 498 C|N 615 N|O 587 O|S 522 C|O 804 C|S 536 S|S 429 C~C 839 C~N 890 C~O 1077 Chemistry data booklet N~N 945 13 13. Thermodynamic data (selected compounds) Substance State ∆H fÖ / kJ mol−1 ∆G fÖ / kJ mol−1 SÖ / J K−1 mol−1 methane CH4 g −74 −50 +186 ethane C2 H 6 g −84 −32 +230 propane C3H8 C 4H10 g −105 −24 +270 C5H12 g −126 −17 +310 butane pentane 14 Formula l C6H14 −173 hexane l −199 ethene C2 H4 g +52 +68 +220 propene C3H 6 g +20 +62 +267 but-1-ene C 4H 8 g +0.1 +71 +306 cis-but-2-ene C 4H 8 g −7 +66 +301 trans-but-2-ene C 4H 8 g −11 +63 +297 ethyne C2 H2 g +228 +211 +201 propyne C3 H4 g +185 +194 +248 buta-1,3-diene g +110 +151 +279 cyclohexane C 4H 6 C6H12 l −156 benzene C6H 6 l +49 +125 +173 methylbenzene C6H5CH3 l +12 ethylbenzene C6H5CH2CH3 l −12 phenylethene C6H5CHCH2 l +104 chloromethane CH3Cl g −82 −58 +235 dichloromethane CH2Cl2 l −124 trichloromethane CHCl3 l −134 −74 +202 bromomethane CH3Br g −36 −26 +246 iodomethane CH3I l −14 chloroethane C2H5Cl g −137 −53 bromoethane C2H5Br l −90 −26 +199 chlorobenzene C6H5Cl l +11 methanol CH3OH l −239 −167 +127 ethanol C2H5OH l −278 −175 phenol C6H5OH s −165 methanal HCHO g −109 −102 +219 ethanal CH3CHO g −166 −133 +264 propanone (CH3)2CO l −248 methanoic acid HCOOH l −425 −361 +129 ethanoic acid CH3COOH l −484 −390 +160 benzoic acid C6H5COOH s −385 methylamine CH3NH2 g −23 +32 +243 water H2O l −286 −237 +70 steam H2O g −242 −229 +189 carbon monoxide CO g −111 −137 +198 carbon dioxide CO2 g −394 −394 +214 hydrogen bromide HBr g −36 −53 +199 hydrogen chloride HCl g −92 −95 +187 hydrogen fluoride HF g −273 −275 +174 hydrogen iodide HI g +26 +2 +207 +178 +163 +161 +144 +200 +168 Chemistry data booklet Chemistry data booklet 15 g l l l l g l CH4 C2 H 6 C3 H8 C 4H10 C5H12 C6H14 C8H18 C6H12 C2 H4 C 4H 6 C2 H2 C6H 6 C6H5CH3 C10H8 C2H5Cl C2H5I CHCl3 CH3OH methane ethane propane pentane hexane octane cyclohexane ethene buta-1,3-diene ethyne benzene methylbenzene chloroethane iodoethane trichloromethane methanol ethanol naphthalene C2H5OH g CO carbon monoxide butane g C carbon (graphite) l l l s l l g g g g g s s S sulfur g State H2 Formula hydrogen Substance −1367 −726 −473 −1463 −1413 −5156 −3910 −3268 −1301 −2541 −1411 −3920 −5470 −4163 −3509 −2878 −2219 −1561 −891 −283 −394 −297 −286 ∆HcÖ / kJ mol−1 sucrose glucose urea nitrobenzene phenylamine methylamine ethanamide ethyl ethanoate ethanedioic acid benzoic acid ethanoic acid methanoic acid phenylethanone pentan-3-one propanone benzaldehyde ethanal methanal ethoxyethane phenol cyclohexanol butan-1-ol propan-1-ol Substance s s C12H22O11 s l l g s l s s l l l l l l g g l s s l l State CO(NH2)2 C6H12O6 C6H5NO2 C6H5NH2 CH3NH2 CH3CONH2 CH3COOC2H5 (COOH)2 C6H5COOH CH3COOH HCOOH CH3COC6H5 (C2H5)2CO (CH3)2CO C6H5CHO CH3CHO HCHO (C2H5)2O C6H5OH C6H11OH C 4H9OH C3H7OH Formula The values of the molar enthalpy of combustion (∆Hc Ö) in the following table refer to a temperature of 298.15 K and a pressure of 100 kPa. 14. Enthalpies of combustion −5640 −2803 −633 −3088 −3393 −1086 −1186 −2238 −243 −3228 −874 −255 −4149 −3100 −1790 −3525 −1167 −571 −2724 −3053 −3728 −2676 −2021 ∆HcÖ / kJ mol−1 15. Colour wheel with wavelengths of the visible spectrum 647 nm 585 nm Orange Red Yellow 700 nm 575 nm 400 nm Violet Green Blue 424 nm 16 491 nm Chemistry data booklet 16. Lattice enthalpies at 298.15 K (experimental values) Ö The lattice enthalpy values (∆H lattice) in the following tables relate to the endothermic process Ma Xb (s) aMb (g) bXa (g) in which the gaseous ions of a crystal are separated to an infinite distance from each other. The data in these tables are experimental values obtained by means of a suitable Born–Haber cycle. Ö ∆H lattice / kJ mol−11 Alkali metal halides F Cl Br I Li 1049 864 820 764 Na 930 790 754 705 K 829 720 691 650 Rb 795 695 668 632 Cs 759 670 647 613 Ö Ö Other substances ∆H lattice / kJ mol−11 Other substances ∆H lattice / kJ mol−11 CaF2 2651 SrO 3223 BeCl2 3033 BaO 3054 MgCl2 2540 CuCl2 2824 CaCl2 2271 AgF 974 SrCl2 2170 AgCl 918 BaCl2 2069 AgBr 905 MgO 3791 AgI 892 CaO 3401 Chemistry data booklet 17 17. Triangular bonding diagram (van Arkel–Ketelaar triangle) Electronegativity difference: a b % covalent % ionic 8 92 25 75 50 50 75 25 100 0 3.0 2.5 Ionic 2.0 1.5 Polar covalent 1.0 0.5 Covalent Metallic 0 0.79 1.0 1.5 2.0 2.5 3.0 3.5 4.0 Average electronegativity: a 18 2 b Chemistry data booklet 18. Acid–base indicators Colour change Indicator pKa pH range Acid Alkali methyl orange 3.7 3.1–4.4 red yellow bromophenol blue 4.2 3.0–4.6 yellow blue bromocresol green 4.7 3.8–5.4 yellow blue methyl red 5.1 4.4–6.2 red yellow bromothymol blue 7.0 6.0–7.6 yellow blue phenol red 7.9 6.8–8.4 yellow red phenolphthalein 9.6 8.3–10.0 colourless pink Chemistry data booklet 19 19. Standard reduction potentials at 298.15 K Oxidized species Reduced species Li+(aq) + e− Li(s) −3.04 K (aq) + e − K(s) −2.93 2+ − Ca(s) −2.87 Na+(aq) + e− Na(s) −2.71 Mg(s) −2.37 Al3+(aq) + 3e− Al(s) −1.66 Mn(s) −1.18 + Ca (aq) + 2e 2+ Mg (aq) + 2e 2+ Mn (aq) + 2e − − H2O(l) + e− 1 − 2 H2(g) + OH (aq) −0.83 Zn2+(aq) + 2e− Zn(s) −0.76 Fe(s) −0.45 Ni2+(aq) + 2e− Ni(s) −0.26 2+ Fe (aq) + 2e − 2+ − Sn(s) −0.14 2+ − Pb(s) −0.13 Sn (aq) + 2e Pb (aq) + 2e H+(aq) + e− 2+ Cu (aq) + e − 1 2 H2(g) Cu (aq) + SO42−(aq) + 4H+(aq) + 2e− H2SO3(aq) + H2O(l) 0.00 +0.15 +0.17 Cu(s) +0.34 − 2OH (aq) +0.40 Cu+(aq) + e− Cu(s) +0.52 2+ Cu (aq) + 2e − 1 − 2 O2(g) + H2O(l) + 2e 1 − 2 2(s) + e I I (aq) − Fe3+(aq) + e− Fe2+(aq) +0.54 +0.77 Ag(s) +0.80 1 − 2 Br 2(l) + e Br (aq) +1.09 1 + − 2 O2(g) + 2H (aq) + 2e H2O(l) +1.23 2− 2Cr (aq) + 7H2O(l) +1.36 Cl−(aq) +1.36 + Ag (aq) + e + Cr 2O7 (aq) + 14H (aq) + 6e − − 1 − 2 Cl2(g) + e − 3+ MnO4−(aq) + 8H+(aq) + 5e− Mn2+(aq) + 4H2O(l) 1 − 2 F2(g) + e 20 EÖ / V − F (aq) +1.51 +2.87 Chemistry data booklet Chemistry data booklet 21 600–800 chloroalkanes fluoroalkanes alcohols, esters, ethers alkenes aldehydes, ketones, carboxylic acids and esters alkynes carboxylic acids (with hydrogen bonding) alkanes, alkenes, arenes alcohols and phenols (with hydrogen bonding) primary amines C ― Cl C―F C―O C|C C|O C~C O―H C―H O―H N―H 3300–3500 3200–3600 2850–3090 2500–3000 2100–2260 1700–1750 1620–1680 1050–1410 1000–1400 500–600 bromoalkanes C ― Br 490–620 Wavenumber / cm−1 iodoalkanes Types of organic molecules C―I Bond strong strong strong strong strong Intensity medium; two bands strong, broad strong strong, very broad variable strong medium-weak; multiple bands Characteristic ranges for infrared absorption due to stretching vibrations in organic molecules 20. Infrared data 21. 1H NMR data Typical proton chemical shift values (δδ) relative to tetramethylsilane (TMS) R represents an alkyl group, and Hal represents F, Cl, Br or I. These values may vary for different solvents and conditions. Type of proton Chemical shift / ppm CH3 0.9–1.0 CH2 R 1.3–1.4 CHR 2 1.5 O RO C CH2 O R C CH2 CH3 2.0–2.5 2.2–2.7 2.5–3.5 C C H 1.8–3.1 CH2 Hal 3.5–4.4 R O CH2 3.3–3.7 O R C O CH2 O R C O H 9.0–13.0 R O H 1.0–6.0 CH CH2 4.5–6.0 O R 22 3.7–4.8 C H OH 4.0–12.0 H 6.9–9.0 9.4–10.0 Chemistry data booklet 22. Mass spectral fragments lost Mass lost (Mr) Possible neutral fragment lost 15 •CH3 17 •OH 18 H2O 28 CH2|CH2 CO 29 •CH2CH3 •CHO 31 •OCH3 45 •COOH Chemistry data booklet 23 23. References Data in sections 7, 8, 9, 10, 11, 12, 13, 14, 16, 18, 19, 20, 21 and 22 were taken fully or in part from: Blackman, A., Gahan, L. R., Aylward, G. H., & Findlay, T. J. V. (2014). Aylward and Findlay’s SI Chemical Data. (7th ed.). John Wiley & Sons. National Institute of Standards and Technology. (2021). NIST Chemistry WebBook SRD 69, NIST Standard Reference Database. U.S. Department of Commerce. http://webbook.nist.gov Rumble, J. R. (Ed.). (2019). CRC Handbook of Chemistry and Physics. (100th ed.). CRC Press. Data in section 17 are reproduced with permission from the author: Leach, M. R. (2021). The Chemogenesis Web Book: Timeline of structural theory. http://www.metasynthesis.com/webbook/30_timeline/timeline.html 24 Chemistry data booklet
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