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Chemistry data booklet

First assessment 2016


Third edition

Diploma Programme
Chemistry data booklet

Published June 2014


Updated May 2015
Published on behalf of the International Baccalaureate Organization, a not-for-profit
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4073

Contents
1. Some relevant equations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
2. Physical constants and unit conversions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2
3. The electromagnetic spectrum . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
4. Fundamental particles . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
5. Names of the elements . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4
6. The periodic table . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
7. Melting points and boiling points of the elements (at 101.325 kPa) . . . . . . . . . . . . . . . 7
8. First ionization energy, electron affinity and electronegativity of the elements . . . . . . 8
9. Atomic and ionic radii of the elements . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9
10. Covalent bond lengths . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10
11. Bond enthalpies and average bond enthalpies at 298 K . . . . . . . . . . . . . . . . . . . . . 11
12. Selected compoundsthermodynamic data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12
13. Enthalpies of combustion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13
14. Common oxidation states of the 3d ions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14
15. Spectrochemical series . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14
16. Ligands . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15
17. Colour wheel . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15
18. Lattice enthalpies at 298 K (experimental values) . . . . . . . . . . . . . . . . . . . . . . . . . . 16
19. Enthalpies of aqueous solutions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17
20. Enthalpies of hydration . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18
21. Strengths of organic acids and bases . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19
22. Acid-base indicators . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21
23. Values of the ionization constant of water . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22
24. Standard electrode potentials at 298 K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23
25. Activity series . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24
26. Infrared data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25
27. 1H NMR data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26
28. Mass spectral fragments lost . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27
29. Triangular bonding diagram . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28
30. Resin identification codes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29
31. Representations of some materials molecules . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29
Chemistry data booklet

32. Solubility product constants at 298 K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30


33. 2-amino acids . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31
34. Lipids, carbohydrates and nucleotide components . . . . . . . . . . . . . . . . . . . . . . . . . 33
35. Vitamins and pigments . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35
36. Binding energy curve . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 37
37. Representations of some medicinal molecules . . . . . . . . . . . . . . . . . . . . . . . . . . . . 38
38. References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40

Notes
This booklet cannot be used for paper 1 of the examination (SLP1 and HLP1), but the
periodic table given in section 6 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, HLP2, SLP3 and HLP3).

iv

Chemistry data booklet

1. Some relevant equations


Topic

Equation

1.3

pV = nRT

2.2 and C.4

c =

5.1

q = mc T
pH = log10 H3 O+
or

8.3

pH = log10 H+
12.1

E = h

15.2

G = H T S

16.2

k = Ae RT

Ea

ln k =

16.2
16.2

ln

Ea
+ ln A
RT

k1 Ea 1 1
=

k 2 R T2 T1

17.1

G = RT ln K

19.1

G = nFE

A.5

% atom economy =

molar mass of desired product


100
molar mass of all reactants

A.8

n = 2d sin

B.7 and D.4

A
pH = pK a + log
HA

B.7

Chemistry data booklet

log10

I0
= lc
I

Topic

Equation

C.1

Energy density =

energy released from fuel


volume of fuel consumed

C.1

Specific energy =

energy released from fuel


mass of fuel consumed

N = N0 e t

C.3

t1 =

C.3 and D.8

ln 2

C.6

RT
E = E
ln Q
nF

C.7

Rate1
M2
=
Rate2
M1

D.8

1 t1/ 2
N ( t ) = N0
2

2. Physical constants and unit conversions


Avogadros constant (L or N A ) = 6.02 1023 mol1
Gas constant (R ) = 8.31 J K 1 mol1
Molar volume of an ideal gas at STP = 2.27 102 m3 mol1 = 22.7 dm3 mol1
1 dm3 = 1 litre = 1 103 m3 = 1 103 cm3
STP conditions = 273 K and 100 kPa
SATP conditions = 298 K and 100 kPa
Speed of light = 3.00 108 ms1

Specific heat capacity of water = 4.18 kJ kg1 K 1 = 4.18 J g1 K 1


Plancks constant (h ) = 6.63 1034 J s
Faradays constant (F ) = 9.65 104 C mol1
Ionic product constant for water (K W ) = 1.00 1014 mol2 dm6 at 298 K

1 amu = 1.66 1027 kg

Chemistry data booklet

3. The electromagnetic spectrum


energy
10 16 10 14 10 12 10 10 10 8 10 6 10 4 10 2 100

rays

X-rays

UV

IR

microwaves

102

10 4

radio waves

106

108 wavelength (m)

V I B G Y O R
400 700
wavelength (nm)

4. Fundamental particles
Proton

Neutron

Mass (kg)

1.672622 10

Charge (C)

1.602189 1019

Chemistry data booklet

27

1.674927 10
0

Electron
27

9.109383 1031
1.602189 1019

Chemistry data booklet

18

Cd

Cs

Ca

Cf

Ce

Cl

cadmium

caesium

calcium

californium

carbon

cerium

chlorine

Cu

Cm

Ds

Db

copper

curium

darmstadtium

dubnium

Cn

Br

bromine

copernicium

boron

Cr

Bh

bohrium

Co

Bi

bismuth

cobalt

58

Be

beryllium

chromium

Bk

berkelium

85

105

110

96

29

112

27

24

17

98

20

55

48

35

107

83

97

56

At

Ba

astatine

33

barium

Ar

As

argon

arsenic

51

Sb

antimony

manganese

magnesium

lutetium

lithium

lead

lawrencium

lanthanum

krypton

iron

iridium

iodine

indium

hydrogen

holmium

helium

hassium

hafnium

gold

germanium

gallium

gadolinium

francium

fluorine

fermium

europium

erbium

einsteinium

95

Al

Am

aluminium

13

Element
dysprosium

89

Atomic number

Ac

Symbol

americium

actinium

Element

5. Names of the elements

Mn

Mg

Lu

Li

Pb

Lr

La

Kr

Fe

49

In
I
Ir

25

12

71

82

103

57

36

26

77

53

67

108

72

79

32

31

64

87

100

63

68

99

66

Atomic number

Ho

He

Hs

Hf

Au

Ge

Ga

Gd

Fr

Fm

Eu

Er

Es

Dy

Symbol

Chemistry data booklet

Ni

Nb

No

Os

Pd

Pt

Pu

Po

nickel

niobium

nitrogen

nobelium

osmium

oxygen

palladium

phosphorus

platinum

plutonium

polonium

Pa

Ra

Rn

Re

Rh

Rg

Rb

protactinium

radium

radon

rhenium

rhodium

roentgenium

rubidium

Pm

Np

neptunium

promethium

Ne

neon

Nd

neodymium

Pr

Mo

molybdenum

praseodymium

Hg

mercury

potassium

Md

mendelevium

Symbol

Mt

Element

meitnerium

37

111

45

75

86

88

91

61

59

19

84

94

78

15

46

76

102

41

28

93

10

60

42

80

101

109

Atomic number

Element

zirconium

zinc

yttrium

ytterbium

xenon

vanadium

uranium

tungsten

titanium

tin

thulium

thorium

thallium

terbium

tellurium

technetium

tantalum

sulfur

strontium

sodium

silver

silicon

selenium

seaborgium

scandium

samarium

rutherfordium

ruthenium

Zr

Zn

Yb

Xe

Ti

Sn

Tm

Th

Tl

Tb

Te

Tc

Ta

Sr

Na

Ag

Si

Se

Sg

Sc

Sm

Rf

Ru

Symbol

40

30

39

70

54

23

92

74

22

50

69

90

81

65

52

43

73

16

38

11

47

14

34

106

21

62

104

44

Atomic number

Chemistry data booklet

40.08

38

39.10

37

(223)

(226)

Ra

88

87

Fr

137.33

132.91

Ba

56

Cs

87.62

55

Sr

85.47

Rb

Ca

20

19

24.31

22.99

Mg

12

Na

9.01

11

Be

6.94

Li

1.01

(227)

Cr

24

61

232.04

231.04

Pa
238.03

92

91

Th

144.24

140.91

90
(237)

Np

93

(145)

Pm

60

Nd

59

Pr

(270)

Bh

107

186.21

Re

75

(98)

Tc

43

54.94

Mn

25

(244)

Pu

94

150.36

62

Sm

(269)

Hs

108

190.23

Os

101.07
76

Ru

44

55.85

Fe

26

Relative atomic
mass

(243)

Am

95

151.96

63

Eu

(278)

Mt

192.22
109

Ir

102.91
77

Rh

45

58.93

Co

27

(247)

Cm

96

157.25

64

Gd

(281)

Ds

110

195.08

Pt

78

106.42

Pd

46

58.69

Ni

28

(247)

Bk

97

158.93

65

Tb

(281)

Rg

111

196.97

Au

79

107.87

Ag

47

63.55

Cu

29

11

(251)

Cf

98

162.50

66

Dy

(285)

Cn

112

200.59

Hg

80

112.41

Cd

48

65.38

Zn

30

12

(252)

Es

99

164.93

67

Ho

(286)

Uut

113

204.38

Tl

114.82
81

In

69.72
49

Ga

31

26.98

Al

10.81
13

13

(257)

Fm

100

167.26

68

Er

(289)

Uuq

114

207.20

Pb

82

118.71

Sn

50

72.63

Ge

28.09
32

Si

14

12.01

14

(258)

Md

101

168.93

69

Tm

(288)

Uup

115

208.98

Bi

83

121.76

Sb

51

74.92

As

30.97
33

15

14.01

15

(259)

No

102

173.05

70

Yb

(293)

Uuh

116

(209)

Po

84

127.60

Te

52

78.96

Se

34

32.07

16

16.00

16

Lr

(262)

103

174.97

71

Lu

(294)

Uus

117

(210)

At

126.90
85

79.90
53

Br

35

35.45

Cl

19.00
17

17

(294)

118

Uuo

(222)

86

Rn

131.29

54

Xe

83.90

36

Kr

39.95

18

Ar

20.18

10

Ne

He

18

4.00

10

Element

Atomic number

(269)

Sg

106

183.84

74

95.96

Mo

42

52.00

(268)

Db

105

180.95

Ta

73

92.91

Nb

41

50.94

23

140.12

Ce

58

(267)

Rf

104

89

Ac

178.49

138.91

Hf

72

La

91.22

57

Zr

40

47.87

Ti

22

88.91

39

44.96

Sc

21

6. The periodic table

Chemistry data booklet

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

Na

Ra

Ba

Sr

Ca

Mg

2468

Be

1342

Li

1287

180.5

252.9

259.2

3200

Ac

1050

3464

4600

Hf

2233

920.0

La

4406

3345

Zr

1854

1522

3287

Ti

1670

2836

Sc

1541

5455

Ta

3017

4741

Nb

2477

3407

1910

5555

3414

4639

Mo

2622

2671

Cr

1907

5900

Re

3453

4262

Tc

2157

2061

Mn

1246

5008

Os

3033

4147

Ru

2333

2861

Fe

1538

Boiling point (C)

Element

Melting point (C)

4428

Ir

2446

3695

Rh

1963

2927

Co

1495

3825

Pt

1768

2963

Pd

1555

2913

Ni

1455

2836

Au

1064

2162

Ag

961.8

2560

Cu

1085

356.6

Hg

38.83

766.8

Cd

321.1

907.0

Zn

419.5

1473

Tl

2027
303.8

In

2229
156.6

Ga

29.77

2519

Al

660.3

4000

2077

7. Melting points and boiling points of the elements (at 101.325 kPa)

1749

Pb

327.5

2586

Sn

231.9

2833

Ge

938.2

3265

Si

1414

4827

3500

1564

Bi

271.4

1587

Sb

630.6

613.0

As

816.8

280.5

44.15

195.8

210.0

962.0

Po

253.8

987.8

Te

449.5

684.8

Se

220.8

444.6

115.2

183.0

218.8

336.8

At

184.4
301.8

58.78
113.7

Br

7.050

34.04

Cl

101.5

188.1

219.7

Ne

Ar

Kr

Xe

Rn

61.85

71.15

108.1

111.8

153.4

157.4

185.8

189.3

246.0

248.6

He

268.9

Chemistry data booklet

Li

0.8

0.8

393

376

Fr

0.7

1.3

Mg

0.9

1.1

La

1.1

Zr

Hf

1.3

1.6

8 651

1.5

Ta

1 728

1.6

1.7

2.2

1.9

2.2

Ir

2.2

Pt

2.2

1.7

Cd

2.4

Au
1.9

Hg

223 1007

1.9

Ag

205 890

2.2

1.6

Zn

126 868

1.9

119 906

Cu
54 731

Pd

151 864

2.3

Rh

106 865

Os

14 814

2.2

Ru

Ni

112 745

1.9

110 804

1.9

64 737

Co

15 760

101 720

1.8

Fe

762

53 710

Re

79 756

2.1

Tc

72 702

Mo

31 759

Nb

88 684

1.6

Mn

64 717

Cr

1.7

51 653

Element

Electron affinity (kJ mol )


1
(2nd EA / kJ mol )

Electronegativity 

First ionization
1
energy (kJ mol )

41 652

1.3

45 659

34

Ti

1.5

30 640

Ac

10 499

Ra

47 509

0.9

1.2

5 600

1.4

18 659

Sc

2 633

14 538

Ba

46 503

1.0

Sr

47 549

1.0

Ca

48 590

Cs

0.8

1.6

Be

53 738

Na

0.9

1.0

60 900

73

Rb

403

419

496

520

2.2

1312

Al

Tl

1.8

589

1.8

In

558

1.8

1.8

1.9

Bi

2.0

Ar

Ne

Br
3.0

Kr

2.0

Po

183

2.1

Te

2.6

Xe
At

Rn

270 1037

2.2

2.7

190 1008 295 1170

2.6

91 812

3.2

Cl

4.0

195 1140 325 1351

Se

78 941

Sb
35 703

Pb

36 716

2.0

2.6

101 869

2.2

3.4

1314 141 1681 328 2081


(+753)

He

2372

72 1000 200 1251 349 1520


(+545)

As
107 831

Sn

29 709

2.0

2.2

119 944

Si

Ge

41 762

3.0

134 1012

1.9

42 787

2.6

27 1086 122 1402

Ga

579

1.6

578

2.0

801

8. First ionization energy, electron affinity and electronegativity of the elements

Chemistry data booklet

140

160

206

238

211

242

La

194

90 (3+ )

176

75 (3+ )

Sc

159

Fr

Ra

Ac

201

167 (1+) 135 (2+) 103 (3+)

Ba

Cs

152 (1+) 118 (2+)

Sr

190

Rb

215

138 (1+) 100 (2+)

Ca

174

200

72 (2+ )

102 (1+)

Na

Mg

45 (2+ )

Be

76 (1+ )

Li

99

130

32

71 (4+ )

Hf

164

72 (4+ )

Zr

164

86 (2+ )
61 (4+ )

Ti

148

64 (5+ )

Ta

158

72 (3+ )
64 (5+ )

Nb

156

79 (2+ )
54 (5+ )

144

66 (4+ )
60 (6+)

150

65 (4+ )

Mo

146

62 (3+ )
44 (6+ )

Cr

130

63 (4+)
53 (7+)

Re

141

65 (4+)

Tc

138

83 (2+ )
53 (4+ )

Mn

129

63 (4+ )
55 (6+)

Os

136

68 (3+)
62 (4+ )

Ru

136

61 (2+ )
55 (3+ )

Fe

124

Ionic radius
12
(10 m)

Element

Atomic radius
12
(10 m)

9. Atomic and ionic radii of the elements

68 (3+)
63 (4+)

Ir

132

67 (3+)
60 (4+)

Rh

134

65 (2+)
55 (3+)

Co

118

80 (2+)
63 (4+)

Pt

130

86 (2+)
62 (4+)

Pd

130

69 (2+ )

Ni

117

Hg

132

95 (2+ )

Cd

140

74 (2+ )

Zn

120

Tl

144

80 (3+)

In

142

62 (3+)

Ga

123

Pb

145

118 (2+)
69 (4+ )

Sn

140

53 (4+ )
272 (4)

Ge

120

40 (4+ )

Si

114

16 (4+ )

75

64

60

Bi

150

76 (3+ )

Sb

140

58 (3+ )
46 (5+ )

As

120

38 (5+ )

109

Cl

100

Br

117

97 (4+)

Po

142

221 (2)

Te

137

At

148

220 (1)

136

198 (2) 196 (1)

Se

118

184 (2) 181 (1)

104

146 (3) 140 (2) 133 (1)

71

137 (1+) 119 (1+) 150 (1+) 119 (2+) 103 (3+)
85 (3+ ) 102 (2+) 89 (3+) 78 (4+ )
76 (5+)

Au

130

115 (1+)

Ag

136

77 (1+ )
73 (2+ )

Cu

122

54 (3+ )

Al

124

27 (3+ )

84

Rn

146

Xe

136

Kr

116

Ar

101

62

Ne

37

He

10. Covalent bond lengths


Single bonds (1012 m = pm)
Br

Cl

Br

228

194

214

176

141

247

214

194

154

177

138

108

214

147

Cl

214

177

199

163

128

232

176

138

163

142

92

141

108

128

92

247

214

232

214

147

Si

220

227

216

143

184

182

185

197

170

203

199

202

257

136

142

154

158

156

74

160

101

97

142

134

148

257

160

267

197

136

101

146

136

143

170

142

97

136

148

220

184

203

154

142

227

182

199

158

134

Si

216

185

202

156

148

247

243
175

174

154

161

163

154

221

210

175

161

210

205

215

174

163

215

232

247
243

Multiple bonds (1012 m = pm)

10

C=C 134

CN 116

NN 110

CC 120

C=O 122

N=O 114

C C 140
(in benzene)

C=S 156

O=O 121

C=N 130

N=N 125

S=S 189

Chemistry data booklet

11. Bond enthalpies and average bond enthalpies


at 298 K
Single bonds (kJ mol1 )
Br

Cl

Br

193

285

219

249

366

178

285

346

324

492

414

228

Cl

219

324

242

255

431

249

492

255

159

366

414

431

178

228

Si

201

264

218

330

286

358

264

289

307

211

192

206

322

271

400

567

280

278

191

490

327

597

567

436

298

391

463

322

364

323

211

280

298

151

201

184

234

286

192

278

391

466

201

358

206

191

463

201

264

264

322

490

322

184

218

289

271

327

364

Si

330

307

400

597

323

234

158

214

214

144

363

363

198

466

266

293

293

226

Multiple bonds (kJ mol1 )


C=C 614

CN 890

NN 945

CC 839

C=O 804

N=O 587

C=S 536

O=O 498

N=N 470

S=S 429

C C 507
(in benzene)
C=N 615

Chemistry data booklet

11

12. Selected compoundsthermodynamic data


Substance

Formula

State

H f (kJ mol1 )

G f (kJ mol1 )

S (J K 1 mol1 )

methane

CH4

74.0

50.0

+186

ethane

C2H6

84.0

32.0

+230

propane

C3H8

105

24.0

+270

butane

C4H10

126

17.0

+310

pentane

C5H12

173

hexane

C6H14

199

ethene

C2H4

+52.0

+68.0

+220

propene

C3H6

+20.0

+62.0

+267

but-1-ene

C4H8

+0.10

+71.0

+306

cis-but-2-ene

C4H8

7.0

+66.0

+301

trans-but-2-ene

C4H8

+63.0

+297

ethyne

C2H2

+228

+211

+201

11.0

propyne

C3H4

+185

+194

+248

buta-1,3-diene

C4H6

+110

+151

+279

cyclohexane

C6H12

156
+125

+173

benzene

C6H6

+49.0

methylbenzene

C6H5CH3

+12.0

ethylbenzene

C6H5CH2CH3

phenylethene

C6H5CHCH2

12.0
+104

chloromethane

CH3Cl

dichloromethane

CH2Cl 2

124
134

trichloromethane

CHCl3

bromomethane

CH3Br

iodomethane

CH3 I

chloroethane

C2H5Cl

bromoethane

C2H5Br

82.0

36.0

58.0

+178
74.0

+202

26.0

+246

14.0
137
90.0

+235

+163
53.0
26.0

chlorobenzene

C6H5Cl

methanol

CH3OH

239

167
175

+199

+11.0
+127

ethanol

C2H5OH

278

phenol

C6H5OH

165

methanal

HCHO

109

102

+219

ethanal

CH3CHO

166

133

+264

propanone

(CH3 )2CO

248

methanoic acid

HCOOH

425

361

+129

ethanoic acid

CH3COOH

484

390

+160

benzoic acid

C6H5COOH

385

methylamine

CH3NH2

23

water

H2O

285.8

237.1

+70.0

steam

H2O

241.8

228.6

+188.8

carbon monoxide

CO

110.5

137.2

+197.7

carbon dioxide

CO2

393.5

394.4

+213.8

hydrogen bromide

HBr

36.3

53.4

+198.7

hydrogen chloride

HCl

92.3

95.3

+186.9

hydrogen fluoride

HF

273.3

275.4

+173.8

hydrogen iodide

HI

+26.5

+1.7

+206.6

12

+161
+144

+200

+168
+32.0

+243

Chemistry data booklet

Chemistry data booklet

13

891

g
g

CO
CH4

C2H6

ethane

propane

g
g
l
l
l
l
g
g
g
l
l
s
g
l
l
l
l

C3H8

C4H10

C5H12

C6H14

C8H18

C6H12

C2H4

C4H6

C2H2

C6H6

C6H5CH3

C10H8

C2H5Cl

C2H5 I

CHCl3

CH3OH

C2H5OH

butane

pentane

hexane

octane

cyclohexane

ethene

buta-1,3-diene

ethyne

benzene

methylbenzene

naphthalene

chloroethane

iodoethane

trichloromethane

methanol

ethanol

methane

283

s
g

carbon (graphite)

carbon monoxide

1367

726

473

1463

1413

5156

3910

3268

1301

2541

1411

3920

5470

4163

3509

2878

2219

1561

394

297

sulfur

286

H c (kJ mol1 )

State

H2

Formula

hydrogen

Substance

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
l
s
s
l

C6H11OH
C6H5OH
(C2H5 )2O

(CH3 )2CO

C12H22O11

C6H12O6

CO(NH2 )2

C6H5NO2

C6H5NH2

s
CH3NH2

l
CH3CONH2

CH3COOC2H5

(COOH)2

C6H5COOH

HCOOH
CH3COOH

CH3COC6H5

C6H5CHO
(C2H5 )2CO

HCHO
CH3CHO
g

C4H9OH

State

C3H7OH

Formula

5640

2803

633

3088

3393

1086

1186

2238

243

3228

874

255

4149

3100

1790

3525

1167

571

2724

3053

3728

2676

2021

H c (kJ mol1 )

The values of the molar enthalpy of combustion ( H c ) in the following table refer to a temperature of 298 K and a pressure of 1.00 105 Pa .

13. Enthalpies of combustion

14. Common oxidation states of the 3d ions


Sc

Ti

Cr

Mn

Fe

Co

Ni

Cu

Zn

+1

+3

+2

+2

+2

+2

+2

+2

+3

+3

+3

+3

+3

+3

+4

+4

+2

+2

+2

+4

+5
+6

+6
+7

15. Spectrochemical series


Ligands can be arranged in a spectrochemical series according to the energy difference
they produce between the two sets of d-orbitals in an octahedral complex.

I < Br < S2 < Cl < F < OH < H2O < SCN < NH3 < CN CO

14

Chemistry data booklet

16. Ligands
NH2

H2N

1,2-ethanediamine
HO

HO
O

O
O

HO

ethanedioate

O
OH

EDTA

17. Colour wheel


647 nm

585 nm
Orange

700 nm
400 nm

Red

Yellow
575 nm

Violet

Green
Blue

424 nm

Chemistry data booklet

491 nm

15

18. Lattice enthalpies at 298 K (experimental


values)

The lattice enthalpy values ( Hlattice


) given relate to the endothermic process
b+
a
Ma Xb (s) aM (g) + bX (g) in which the gaseous ions of a crystal are separated to an
infinite distance from each other.

Experimental values
The data in these tables are experimental values obtained by means of a suitable
BornHaber cycle.
Alkali metal halides

Hlattice
(kJ mol1 )

Li

F
1049

Cl
864

Br
820

764

Na

930

790

754

705

829

720

691

650

Rb

795

695

668

632

Cs

759

670

647

613

Other substances

Hlattice
(kJ mol1 )

Other substances

CaF2

2651

SrO

3223

BeCl 2

3033

BaO

3054

MgCl 2

2540

CuCl 2

2824

CaCl 2

2271

AgF

974

SrCl 2

2170

AgCl

918

BaCl 2

2069

AgBr

905

MgO

3791

AgI

892

CaO

3401

16

Hlattice
(kJ mol1 )

Chemistry data booklet

19. Enthalpies of aqueous solutions


Solute

H sol
(kJ mol1 )

Solute

H sol
(kJ mol1 )

NH4 Cl

+14.78

KCl

+17.22

NH4NO3

+25.69

KBr

+19.87

LiF

+4.73

KI

+20.33

LiCl

37.03

RbF

26.11

LiBr

48.83

RbCl

+17.28

Li I

63.30

RbBr

+21.88

NaF

+0.91

RbI

+25.10

NaCl

+3.88

CsF

36.86

NaBr

0.60

CsCl

+17.78

NaI

7.53

CsBr

+25.98

KF

17.73

CsI

+33.35

Chemistry data booklet

17

20. Enthalpies of hydration

18

Hhyd
(kJ mol1 )

Cations

Hhyd
(kJ mol1 )

Li+

538

504

Na+

424

Cl

359

K+

340

Br

328

Rb+

315

287

Cs+

291

ClO3

331

Be2+

2524

BrO3

358

Mg2+

1963

IO3

446

Ca2+

1616

ClO4

205

Sr 2+

1483

OH

519

Ba2+

1346

CN

341

Ra2+

1335

NO3

316

Al3 +

4741

HCO3

383

Ga3 +

4745

CO32

1486

In3 +

4171

HSO4

362

Tl3 +

4163

SO24

1099

Tl +

346

PO34

2921

Sn2+

1587

Pb2+

1523

Anions

Chemistry data booklet

21. Strengths of organic acids and bases


The acid strengths in the following tables are given in terms of pK a values,
where pK a = log10 K a . The dissociation constant K a values are for aqueous solutions
at 298 K. Base strengths are given in terms of pK b values.

Carboxylic acids
Name

Formula

pK a

methanoic

HCOOH

3.75

ethanoic

CH3 COOH

4.76

propanoic

CH3 CH2COOH

4.87

butanoic

CH3 (CH2 )2COOH

4.83

2-methylpropanoic

(CH3 )2CHCOOH

4.84

pentanoic

CH3 (CH2 )3 COOH

4.83

2,2-dimethylpropanoic

(CH3 )3 CCOOH

5.03

benzoic

C6H5 COOH

4.20

phenylethanoic

C6H5 CH2COOH

4.31

Halogenated carboxylic acids


Name

Formula

pK a

chloroethanoic

CH2ClCOOH

2.87

dichloroethanoic

CHCl 2COOH

1.35

trichloroethanoic

CCl3 COOH

0.66

fluoroethanoic

CH2FCOOH

2.59

bromoethanoic

CH2BrCOOH

2.90

iodoethanoic

CH2 ICOOH

3.18

Chemistry data booklet

19

Phenols
Name

Formula

pK a

phenol

C6H5 OH

9.99

2-nitrophenol

O2NC6H4 OH

7.23

3-nitrophenol

O2NC6H4 OH

8.36

4-nitrophenol

O2NC6H4 OH

7.15

2,4-dinitrophenol

(O2N)2C6H3 OH

4.07

2,4,6-trinitrophenol

(O2N)3 C6H2OH

0.42

Alcohols
Name

Formula

pK a

methanol

CH3 OH

15.5

ethanol

C2H5 OH

15.5

Amines
Name

Formula

pKb

ammonia

NH3

4.75

methylamine

CH3NH2

3.34

ethylamine

CH3 CH2NH2

3.35

dimethylamine

(CH3 )2NH

3.27

trimethylamine

(CH3 )3N

4.20

diethylamine

(C2H5 )2NH

3.16

triethylamine

(C2H5 )3N

3.25

phenylamine

C6H5NH2

9.13

20

Chemistry data booklet

22. Acid-base indicators


Colour change
pK a

pH range

Acid

Alkali

methyl orange

3.7

3.14.4

red

yellow

bromophenol blue

4.2

3.04.6

yellow

blue

bromocresol green

4.7

3.85.4

yellow

blue

methyl red

5.1

4.46.2

red

yellow

bromothymol blue

7.0

6.07.6

yellow

blue

phenol red

7.9

6.88.4

yellow

red

phenolphthalein

9.6

8.310.0

colourless

pink

Indicator

Chemistry data booklet

21

23. Values of the ionization constant of water


Temperature ( C)

22

K W value

0.113 1014

0.185 1014

10

0.292 1014

15

0.453 1014

20

0.684 1014

25

1.00 1014

30

1.47 1014

35

2.09 1014

40

2.92 1014

45

4.02 1014

50

5.43 1014

55

7.24 1014

60

9.55 1014

65

12.4 1014

70

15.9 1014

75

20.1 1014

80

25.2 1014

85

31.3 1014

90

38.3 1014

95

46.6 1014

100

56.0 1014

Chemistry data booklet

24. Standard electrode potentials at 298 K


Reduced species

E (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

Mn(s)

-1.18

Oxidized species

2+

Mn (aq) + 2e

1 H (g) + OH (aq)
2 2

-0.83

Zn(s)

-0.76

Fe2+ (aq) + 2e

Fe (s)

-0.45

Ni(s)

-0.26

Sn(s)

-0.14

Pb (s)

-0.13

H2O(l) + e
2+

Zn (aq) + 2e

2+

Ni (aq) + 2e

Sn2+ (aq) + 2e
2+

Pb (aq) + 2e

1 H (g)
2 2

0.00

Cu+ (aq)

+0.15

H2SO3 (aq) + H2O(l )

+0.17

Cu(s)

+0.34

2OH (aq)

+0.40

Cu+ (aq) + e

Cu(s)

+0.52

1 I ( s) + e
2 2

I (aq)

+0.54

Fe2+ (aq)

+0.77

Ag(s)

+0.80

Br (aq)

+1.09

H2O (l )

+1.23

2Cr 3 + (aq) + 7H2O (l )

+1.36

H+ (aq) + e
Cu2+ (aq) + e
SO24 (aq) + 4H+ (aq) + 2e
Cu2+ (aq) + 2e
1 O (g) + H O(l ) + 2 e
2
2 2

Fe3 + (aq) + e
Ag+ (aq) + e
1 Br (l ) + e
2 2
1 O (g) + 2 H+ (aq) + 2 e
2 2

Cr2 O72 (aq) + 14H+ (aq) + 6 e


1 Cl (g) + e
2 2

MnO4 (aq) + 8H+ (aq) + 5 e


1 F (g) + e
2 2

Chemistry data booklet

Cl (aq)

+1.36

Mn2+ + 4H2O (l )

+1.51

F (aq)

+2.87

23

25. Activity series


Increasing
activity
Li
Cs
Rb
K
Ba
Sr
Ca
Na
Mg
Be
Al
C
Zn
Cr
Fe
Cd
Co
Ni
Sn
Pb
H
Sb
As
Bi
Cu
Ag
Pd
Hg
Pt
Au

24

Chemistry data booklet

Chemistry data booklet

25

600800

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

CCl

CF

CO

C=C

C=O

CC

OH

CH

OH

NH

33003500

32003600

28503090

25003000

21002260

17001750

16201680

10501410

10001400

500600

bromoalkanes

CBr

490620

Wavelength (cm1 )

iodoalkanes

Organic molecules

CI

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.

26. Infrared data

27. 1H NMR data


Typical proton chemical shift values ( ) 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

0.91.0

CH2R

1.31.4

CHR2

1.5

O
C

RO

2.02.5

CH2

O
C

2.22.7

CH2
CH3

1.83.1

CH2 Hal

3.54.4
3.33.7

O
C

O CH2
O

O H

R O H

3.74.8

9.013.0
1.06.0

CH CH2
OH

26

2.53.5

C C H

R O CH2

Chemical shift (ppm)

4.56.0
4.012.0

Chemistry data booklet

Type of proton

Chemical shift (ppm)

6.99.0

O
R

9.410.0

28. Mass spectral fragments lost

Chemistry data booklet

Mass lost

Fragment lost

15

CH3

17

OH

18

H2O

28

CH2 =CH2 , C=O

29

CH3 CH2 , CHO

31

CH3 O

45

COOH

27

29. Triangular bonding diagram


van Arkel-Ketelaar
Triangle of bonding

Electronegativity
difference
3.0

2.5

Electronegativity
difference
= a b

% covalent
% ionic

Ionic

92

25

75

50

50

75

25

100

2.0

1.5

Polar
covalent

1.0

0.5

Metallic

Covalent

0
0.79
1.0 1.5 2.0 2.5 3.0 3.5 4.0

Average electronegativity =

( a + b )
2

28

Chemistry data booklet

30. Resin identification codes


Resin Identification
Code (RIC)

Plastic types

Resin Identification
Code (RIC)

Plastic types

polyethene
terephthalate

polypropene

PETE

PP

high-density
polyethene

2
HDPE
3

polystyrene

PS
7

polyvinyl chloride

PVC

other

OTHER

low-density
polyethene

4
LDPE

31. Representations of some materials molecules


O

Clm
Cln

Clm

polychlorinated biphenyls

Cl

Cln

polychlorinated
dibenzofuran

1,4-dioxin

Cl

Clm
Cl

Cl

2,3,7,8-tetrachlorodibenzodioxin

Chemistry data booklet

Cln

polychlorinated dibenzo-p-dioxin

29

32. Solubility product constants at 298 K

30

Compound

K sp

BaCO3

2.58 109

Ba(OH)2 8H2O

2.55 104

BaSO4

1.08 1010

CdCO3

1.0 1012

Cd(OH)2

7.2 1015

PbCO3

7.40 1014

Pb(OH)2

1.43 1020

PbSO4

2.53 108

Hg2CO3

3.6 1017

Hg2SO4

6.5 107

NiCO3

1.42 107

Ni(OH)2

5.48 1016

Ag2CO3

8.46 1012

Ag2SO4

1.20 105

ZnCO3

1.46 1010

Zn(OH)2

3.0 1017

Chemistry data booklet

33. 2-amino acids


Common name

Symbol

alanine

Ala

arginine

Arg

Structural formula
H2N CH COOH

pH of
isoelectric point
6.0

CH3
H2N CH COOH
CH2 CH2 CH2 NH C NH2

10.8

NH

asparagine

Asn

H2N CH COOH
CH2 C NH2

5.4

aspartic acid

Asp

cysteine

Cys

glutamic acid

Glu

H2N CH COOH
CH2 COOH
H2N CH COOH
CH2 SH
H2N CH COOH
CH2 CH2 COOH

2.8

5.1

3.2

H2N CH COOH

glutamine

Gln

CH2 CH2 C NH2

5.7

glycine

Gly

H2N CH2 COOH

6.0

H2N CH COOH
CH2

histidine

His

7.6

N
N

isoleucine

Ile

H2N CH COOH
H3C CH CH2 CH3

6.0

H2N CH COOH

leucine

Leu

CH2

6.0

H3C CH CH3

Chemistry data booklet

31

Common name

Symbol

lysine

Lys

methionine

Met

Structural formula
H2N CH COOH
CH2 CH2 CH2 CH2 NH2
H2N CH COOH
CH2 CH2 S CH3

pH of
isoelectric point
9.7

5.7

H2N CH COOH

phenylalanine

CH2

Phe

5.5

COOH

proline

Pro

serine

Ser

threonine

Thr

6.3

HN

H2N CH COOH
CH2 OH
H2N CH COOH
H3C CH OH

5.7

5.6

H2N CH COOH

tryptophan

Trp

CH2

5.9

NH
H2N CH COOH
CH2

tyrosine

5.7

Tyr

OH

valine

32

Val

H2N CH COOH
H3C CH CH3

6.0

Chemistry data booklet

34. Lipids, carbohydrates and nucleotide


components
Lipids
Octanoic acid

CH3 (CH2 )6 COOH

Lauric acid

CH3 (CH2 )10 COOH

Palmitic acid

CH3 (CH2 )14 COOH

Stearic acid

CH3 (CH2 )16 COOH

Oleic acid

CH3 (CH2 )7 CH=CH(CH2 )7 COOH

Linoleic acid

CH3 (CH2 )4 (CH=CHCH2 )2 (CH2 )6 COOH

-Linolenic acid

CH3 CH2 (CH=CHCH2 )3 (CH2 )6 COOH

H3C

CH

CH2

CH3

CH2

CH2

CH

CH3

CH3

CH3

HO

cholesterol

Carbohydrates
CH2OH

H C O
H C OH

H
H
OH

HO C H
H C OH
H C OH
CH2OH

straight chain glucose

Chemistry data booklet

CH2OH
H

HO C H

HO

OH
H

OH

-glucose

C O
H C OH
H C OH
CH2OH

straight chain fructose

33

CH2OH

CH2OH

CH2OH
H

OH

OH
H

OH

OH

H
OH

OH

-fructose

ribose
CH2OH

OH

H
H

OH

deoxyribose

Nitrogenous bases

N
HC

C
N

NH2

NH2

C N

CH

H2N

adenine

N
C

C
CH
C N
N
H

guanine

N
C

C
N

CH

cytosine
O

CH
CH

uracil

34

CH

O
H

H
O

N
C

C
N

CH3

CH

thymine

Chemistry data booklet

35. Vitamins and pigments


Vitamins

CH3

H
C

CH3
CH

CH

CH3
CH

CH

CH

CH2

OH

HO
CH
CH2
HO

CH3
CH3

retinol (vitamin A)
H3C
H3C

OH
OH

ascorbic acid (vitamin C)

CH

CH2

CH2

CH2

CH CH3
CH3

CH
CH
CH2
HO

vitamin D (D3)

Chemistry data booklet

35

Pigments
H2C
H 3C

CH2
N
CH

H3C

CH

H2C
C

CH2
O

H3 C

C20H39

CH3

N
Fe

CH2

CH

N
CH3

CH

C H O
O
R=CH3 (chlorophyll a)

CH3

R=CHO (chlorophyll b)

CH3

O
CH2
CH2

N
HC

CH3

CH2
CH2

CH3

Mg

OH HO

CH

CH
CH2

chlorophyll

heme B

OH
O

OH
O+

HO

R
O glucose

O glucose
OH

OH

quinoidal base (blue)

H3C

CH3

CH3
CH

CH

CH

flavylium cation (red)

H3C

CH3
CH

CH

CH

CH

CH

CH

CH

CH

CH

CH3

CH3

CH

CH3

CH
H3 C

CH3

-carotene

H3 C

CH3

CH3
CH

CH

CH

H3C

CH3
CH

CH

CH

CH

CH

CH

CH

CH3

CH3

CH

CH

CH

CH3

CH
H3 C

CH3

-carotene

36

Chemistry data booklet

CH3

CH3
CH

CH

CH3

CH

CH

H3C

CH3

CH
C

CH
HC
O

11-cis-retinal

H3C

CH3
CH

CH3
CH

CH

CH3
CH

CH

CH

H
C

CH3
all-trans-retinal

36. Binding energy curve


9

Average binding energy per nucleon (MeV)

16

12
4

56

235

Fe

238

He

Li
Li
7

5
4
3

3
3

He

1
1

H
30

60

90

120

150

180

210

240

270

Number of nucleons in nucleus

Chemistry data booklet

37

37. Representations of some medicinal molecules


O

OH

O
H3C

H2C

CH3

OH

CH3

ibuprofen

paracetamol (acetaminophen)
OH

OH
CH2 CH2

H3C N

CH2 CH2
O

OH

morphine

CH2 CH2

CH3

H3C

NH
O

O
O

diamorphine (heroin)

38

CH3

codeine
O

H3C N

penicillin (general structure)

H3C C COOH

H 3C N

CH3
CH3

HO

aspirin
H3 C

NH

CH3

CH3

CH3
O CH3

omeprazole

Chemistry data booklet

H3C

NH

CH3

H3 C

N+

NH

ranitidine

O
H3C

HO

H2N

CH3
H3C

NH

H3 C

OH

HO

NH

O
OH

O
HN

H3C

NH2

HN

oseltamivir

zanamivir
O
CH3
O
CH3 OH

O
O

NH

H3C
O

CH3
CH3

OH O

OH

O
CH3

O
O

taxol

Chemistry data booklet

39

38. References
Data in sections 9, 10, 11, 12, 13, 22, 26 and 27 was taken fully or in part from:
Aylward, G. and Findlay, T. 2008. SI chemical data. (5th edition). Queensland, Australia.
John Wiley & Sons.
Data in section 20 reproduced by permission of The Royal Society of Chemistry.
Barret, J. 2003. Inorganic chemistry in aqueous solution. London, UK. Royal Society of
Chemistry.
Data in section 13 was taken in part from:
Burgess, DR. 2012. Thermochemical Data. NIST Chemistry WebBook, NIST Standard
Reference Database. Number 69. http://webbook.nist.gov.
Data in sections 7, 8, 9, 12, 13, 18, 19, 21, 23, 24, 28, 32 and 33 was taken fully or
in part from:
Haynes, WM. (ed). 2012. CRC Handbook of chemistry and physics. (93rd edition). Boca
Raton, US. CRC Press.
Data in section 29 can be found in the following source:
Leach, MR. 2013. Timeline of structural theory. 04 January 2013.
http://www.meta-synthesis.com/webbook/30_timeline/timeline.html.

40

Chemistry data booklet

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