Chemistry data

bookle
t First
assessment 2016

Fourth edition
Diploma Programme
Chemistry data booklet

Published June 2014

Updated January 2016
Updated January 2017

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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 compounds—thermodynamic 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 =νλ

5.1
q m= ∆c T

8.3   +
pH = −   log10 H O3

or

  +
pH = −   log10 H

12.1
Eh=ν

15.2
∆ = G H∆ −T S∆ Ö Ö Ö

16.2 −
E
a
 k Ae
=
RT

16.2
lnk ln E
−
RTA = +
a

16.2
11
=−


 
k E
ln k R T T
1a

221

17.1
∆ = G R− T K Ö ln

19.1
∆ = G n− FE Ö Ö

A.5
% atom economytotal mass of desired product total

=
mass of all reacta nts⋅100

A.8
n d λ θ = 2 sin

B.7 and D.4


  
  

 
=+  
−

A
pH K HA
p a log
 
 

B.7 I
log100 I = ε lc

Chemistry data booklet 1

 Topic Equation

C.1
Energy densityenergy released from fuel
volume of fuel consumed =

C.1
Specific energy energy released from fuel
mass of fuel consumed =

C.3 −
N N e t=
λ
0

C.3 and D.8

2 ln
= λ
t 1
2

C.6
E E RT
 
  ln
Ö
nF = − Q

C.7 Rate
M
= M
1
2

Rate
2
1

t
D.8

 

1 12
=   2
0

t
() /

NtN

2. Physical constants and unit conversions

−
Avogadro’s constant ( ) L N . or A = ⋅ mol 6 02 1023 1

−−
Gas constant ( ) R = . 8 31 1 1 J K mol

−−−
Molar volume of an ideal gas at STP m = ⋅ mol d = m mol 2 27 10 22 7 2 3

−
131
. . 1 1 1 10 1 10 3 3 3 3 3 dm = = litre ⋅ = m c ⋅ m
STP conditions = 273 K and100 kPa

SATP conditions = 298 K and100 kPa

−
Speed of light = ⋅ ms 3 00 108 1 .

−−−−
Specific heat capacity of water = = kJ kg K J g K 4 18 4 18 1 1 1 1 . .

−
Planck’s constant ( ) h = ⋅ . 6 63 10 34 J s

−
Faraday’s constant ( ) F = ⋅ . 9 65 104 1 C mol

−−
Ionic product constant for water ( ) KW = ⋅ . mol dm at 1 00 10 14 2 6 298

−
K 1 1 66 10 27 amu k = ⋅ g .

2 Chemistry data booklet

3. The electromagnetic spectrum

energy

−16 −14 −12 −10 − − − −

10 10 10 10 10 8 10 6 10 4 10 2 100 102 104 106 108 wavelength (m) γ rays X-rays UV IR microwaves

radio waves

VIBGYOR
400 700
wavelength (nm)

4. Fundamental particles
Proton Neutron Electron

Mass (kg) − − −
1 672622 10 27 . ⋅ 1 674927 10 27 . ⋅ 9 109383 10 31 . ⋅
Charge (C)
− 0 −
1 602189 10 19 . ⋅ 1 602189 10 19 . ⋅

Chemistry data booklet 3

 r 6 9 8 3 0 9 7 4 1 2 9 2 8 2 7 1 9 3 7 6 6 7 3 2 3 1 2 5

8 3 3 7 7 6 5 7 1 2
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l y s r u m F r d a e u f s e o H n I r e r a r b i u g n

I I
F F F L L L L
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o D H H H H
G G G M M

t m m m m m e m m m m d m m m m n m e m n n m m d m m m e

s
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l c l m b r s t a k e i h B r d s a f C e l r o n u m s b

A A A S A A A B B B B B B
o C C C C C C C C C C C D D

t m m m y n c e m m m h m n e m m m m n m e m t m r m m m

i l
t

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c l
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E
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c
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t
 n

4 Chemistry data booklet

r 4 4 2 1 6 4 4 7 1 8 6 3 3 2 5 1 0 9 0 2 4 2 3 4 0 9 0 0

1 4 1 7
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l u f m c g e i g a r S a c e b l h m n i W U V e b Y n r

T T T T
T T T T X Z Z
R S S S S S A S S Y
o R N

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u u u u u u o e u u u u u u u u u u u e u u o u u n u
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1
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A
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O
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Chemistry data booklet 5

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 6 Chemistry data booklet

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8
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− − 8 H
−
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. . . .
. . . .

e e 1 2 0 0
6 5
4
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c .
S
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.
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i
. . . .
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b
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0
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K
L
H 3
5 N 3 9
5 7 5 8
8
8
R

1
2 6
2 9 7 3
1
8 6

−
−
 Chemistry data booklet 7

5 4
1 1 1
1 2

7 5
− − −
n e o
− − e
6 0
1
4 6
+ + . .
.

. .

e ( ( S P
O S T
2 2
2
4 0
3 2 1 2
9

1 0 4 1
6

3 0 9 8
m 8

1 1

l
0 2 8 1 1

.
7 7 0 9
N
2
e 3
− − 1 −

0 i
s −
2 2 b 9
0
4
. . .
.
P
1 2 B
2 A
e 2 S
2 1
1 4
1
3

0 4
ht 3
0

1 9
8
7
f

o 2 4 9 7 5

2 3 1 0 3

1 1 1 1 −

i
− − − − b
y
e n 8
6 9 0 0

.
ti . . . .
C
6
S P
2 2 S 1
v
1 2
G
6
8 7 2 9
it

1
0 8 6 0

a
7
1 7 7 7

ge

7 2 1 9 6

2 4 4 2 3

o
− − − − −

l l
r a
0 6 8 8 8

n
. . . . .
t
B
T
A
2 I
1
1 1 1
G
1
8 9 8 9
c

0
7 7 5 8

8
5 5 5 5
e

6 d g
n 7 9

e .
. .

Z 7
1 1 1
C H
6
8
0

0
dn 6
0
a
9
8
1

y
9 6 3

ti
1 2 2

1 1 2
n

− − −
u
i g u
9
9 4

.
ff . .

1
1 2
C
a A A

5
1 0

4
3 9

7
7 8

2 4 5
o

1 5 0

r
1 − 2

i
t
tc − d −
2
e 9 2

.
. .
l

N P P
2
1 2

4
7 4

e
0
3 6

8
7 8

) 4 0 1
y )

1 6 1 5
1

− − 1 1
gr −

l
o − −
l
9 h
e
3 2
r
.
o .
.
o

I
1
2
n C 2
R
m 0
0 5
m

6
2 6

e
7
J 7 8
J

k
k

n (

o
/ y 5 1 6

it
t
1 0 0
i
y
a − 1 1

t
A
− −
e
i u s
8
2 2
z
.
. .
E
in n

F
o i 2 2
1
R O
f 2
0 4
i d
f

6
1 1

n
a 7
7 8

(
n
s

o
r

i F.

r v n 3 4
6
t
t i
. 5 1

t
c − −
1
n
M
a e
8 e 7
c 9
1
l
e 1 .
g .
e e r r e
6
E 7 R
T 1
. e 2
2 1 0 7
1 6
A 2
H N K 0
m
2
n
7 8 2 X 3 5
5 0

7
3 0 5 0 o 7
3 7
e

1
2 2 1 1 r
1
l

1
t

8 9 5 5
) c 4 2 9
E
1
2 4 2 9
6 7 7
e
−
3 3 3 2
l − − −
l
l
r
− − − − r
o
n 7 7
0 2 0 7 E 2
o

. . I . . .
.
.
F
o
W
1 1 0
8 C
4 C B i 2 1
2 1
3 3
M
m 9
8 3 4
t
0
5 4
5
6 5 8
0
2 1
7
1 6 6
1
1 1

a 1 8 1

) ) 5 0 J
1 0
5 8 3

3 5 9 9 z

k
4 0 − − −
i
 ( 3 0 9
8
b
6 6
n
3 0 9
3
. .
y
V
o
6 6 4
5
i 1 1
N
g 1
2

5
r
t 5
e g 4 0
6 6 3
6
s
. 2 5 1 1
.
e

r
− − − −
B 1
i 1
M
n
a a
0 8
9
a
0 r
F 3 0 .
e 0
.
.
9 7
B R
C 0
1 S

0 1 3 9
1

9
9
0 0
8 4

4
5
5 5
− −

5
r
3
i

5 .

.
Z

1 3 0 3 8 7 6 7
T

0
1
7 6 5 4 4 4 4
9
4

− − − − − − −
5
6
i s r
a b
6 8 8 8
2 0 9

. . . . .
.
H K
L F
2 N 0 0 C
2 1 0 R 0
8 0
9

1
1 3 3 6 3
0 6
1

3
− − 0 7 9
2 9
4

1
c 5 4 4 3 3
4 2

. .
Y

S 1
1

8 Chemistry data booklet

e e 1 6 6 6
7 2 r r n
e

3 6 0 1 3 4

H N
A K X R
1 1 1 1

) ) ) ) 8
t

− − − −
4

A
1 l 1 1
1
r 1
0 7 6
0 (
(
( (
I
F
0 1 3

6 0
C
B 1
3
1 1
1 6 2

8 9 2

1 1

) ) ) ) )

− − − − +

2
2 2 2 2 4
4 8 7 o
4 e e
( ( ( ( (

S 4
1 3
0
O
6
P
T 7
S
0 1
1 1 1
4 8 1

4 9
8 9 2

1
1 1 2

) ) ) ) )
)
)

−
+ + +
+
+ +
9 0
b
3 5 0 3
s i
1 3 3
( ( 5 ( 0
P 5
4
0
(
( (
N
2 (
7
1 S
1 5
6 8

6
A B
3 1
4
6
7 1
8 3
6
1

0
5
4 7

) ) ) ) )

) ) )

−
+ + + +

i + + +
4
5
4 4 4
2 2
0
e 5
( 0 b
( 4 4 4
C 1 (
n
7 ( (
S
(
(
(
2
4
1 4
6
2
0
G
8
1
1 S P

1 1
4 3
9 9

7 8

1
5
6 1

2 7

) ) ) ) )

+ +
+ + +

+
l
4 3 2
4 a 3
3 3 3
1
n l
( ( 4
( (
3
B 2
2 4
8 (
(
A I
G 4
2 0
7 1 1
1

4
T
2
6 8
1
5 0
9

) ) )
)

+ +
+
+
0 0
d
2
2
n 1
2
(
( 2
2 g
4
(
(

Z
C
3
1
1

4
5

H
7 1
9 9
2

1
0

1
1

) ) )
)
)

+
+
+
+
+
1
2
u 6
g 1
1 0
2 ( u
3
3 (
(
(
(
2
3
A
1
5
C
A
1
1
1 7
7
3
5

1
3
7
7
8

) ) )
) )

+ + +
+ +
i
7

2 0 t
2 0
4 2
( 4
d
1
(
( (
(
N
3
3
1

P P
9
6
2 0
1 3
1
6

8
6 8
6

) ) )
) ) )

+
+ +
+
+ +

2
8 4
r
o h
4
2 3
3
3 4

( (
( (
( (
3
1 3
I

C
R 1
5
1 1 8
3

5 7
0

6
6 6

5 6
6

s ) ) )
) )
)

)
s
u
+
+ +
+ + +
i
u
4
e 6
i 6
m 2 u
4
) 3 3
s
d
4 6

(
d ( ( (
2
( (
 a
2
3 3
m

a
F R O
r 8
1 5
1 1
2
2 3
1
5

6 6
6 5
6
5

r ) ) )
) )
1
1

+
c − +
+ +
− +
i 8
c
9 4
0 1
n c
0 i e
2 4
(
4 7

m 3
1
( (
1 n ( (
2 T
(
( 5 4
o 1

o
R
t 1 3
I M 6 3
1
3
3
A

6
5
8
5

) ) )
) )

+ +
+
+ +
6
o
r 4
0 6
0
3 4
(
6
4
(
( (
(
3
1 5
M
W
5
C 0
1
1 6

6
2
4
6
6

6
4

) ) )
) )

+
+ +
+ +
8
a
4 6 5
b
2
3
5 (
5
5
(
(
(
(
V
4 5 T

4
N
1
1
9 6
4 2
4

7
5 7
6

) ) )
)

+ +
+
+ f
4 4
r
i 4 4
8

2 ( (
4
6 6

(
(
Z H
4

1 1
T

2 1

1
7 7
6
1

8
6

) ) ) 1

+ 0
+ +

9 6
c 3 A
3 3
4 2
a
( ( (
Y
5
7
9

S
1 L
1
1
0 3
5

9 0
7

) ) ) ) ) 1
a

+ + + 1
+ +

0
e
g
9 2 2 2 R
2
2 4 0 6 2
a r a
4
( ( ( (
(

9 7 9 0

B 1
M S
C B
5 1 1 2
2
0 8 5

4 7
0 1 3

1 1 1

2 ) ) ) ) ) 2
r
H

3
+ + + + 4
+

i
0 F
1 1 1 1
1 0 0 5 8 2
a b s
( (
( (
3
(
0 1
6 3
L
K

2
1 N 2 2 C
1 8 R
2
2
7
6

0 3
5
6
7

1 1
1
1

A
 .

Chemistry data booklet9

10. Covalent bond lengths

−12
Single bonds ( ) 10 m p= m
Br C Cl F H I N O P S Si

Br 228 194 214 176 141 247 214 220 227 216

C 194 154 177 138 108 214 147 143 184 182 185

Cl 214 177 199 163 128 232 197 170 203 199 202

F 176 138 163 142 92 257 136 142 154 158 156

H 141 108 128 92 74 160 101 97 142 134 148

I 247 214 232 257 160 267 247 243

N 214 147 197 136 101 146 136 175 174

O 143 170 142 97 136 148 154 161 163

P 220 184 203 154 142 247 154 221 210

S 227 182 199 158 134 175 161 210 205 215

Si 216 185 202 156 148 243 174 163 215 232

−12
Multiple bonds ( ) 10 m p= m

C=C 134 C≡N 116 N≡N 110

C≡C 120 C=O 122 N=O 114

140
C C C=S 156 O=O 121 (in benzene)

C=N 130 N=N 125 S=S 189 10 Chemistry data booklet

11. Bond enthalpies and average bond enthalpies
at 298 K
−1
Single bonds ( ) kJ mol
Br C Cl F H I N O P S Si

Br 193 285 219 249 366 178 201 264 218 330

C 285 346 324 492 414 228 286 358 264 289 307

Cl 219 324 242 255 431 211 192 206 322 271 400

F 249 492 255 159 567 280 278 191 490 327 597

H 366 414 431 567 436 298 391 463 322 364 323

I 178 228 211 280 298 151 201 184 234

N 286 192 278 391 158 214

O 201 358 206 191 463 201 214 144 363 466

P 264 264 322 490 322 184 363 198

S 218 289 271 327 364 266 293

Si 330 307 400 597 323 234 466 293 226

−1
Multiple bonds ( ) kJ mol

C=C 614 C≡N 890 N≡N 945

C≡C 839 C=O 804 N=O 587

507
C C C=S 536 O=O 498 (in benzene)

C=N 615 N=N 470 S=S 429 Chemistry data booklet 11

12. Selected compounds—thermodynamic data
Substance Formula State S Ö (J K )
−−11
mol
∆H f kJ mol Ö ( ) ∆G f kJ mol Ö ( )
−1 −1

methane CH4 g −74.0 −50.0 +186

ethane C H2 6 g −84.0 −32.0 +230

propane C H3 8 g −105 −24.0 +270

butane C H4 10 g −126 −17.0 +310

pentane C H5 12 l −173

hexane C H6 14 l −199

ethene C H2 4 g +52.0 +68.0 +220

propene C H3 6 g +20.0 +62.0 +267

but-1-ene C H4 8 g +0.10 +71.0 +306

cis-but-2-ene C H4 8 g −7.0 +66.0 +301

trans-but-2-ene C H4 8 g −11.0 +63.0 +297

ethyne C H2 2 g +228 +211 +201

propyne C H3 4 g +185 +194 +248

buta-1,3-diene C H4 6 g +110 +151 +279

cyclohexane C H6 12 l −156

benzene C H6 6 l +49.0 +125 +173

methylbenzene C H6 5CH3 l +12.0

ethylbenzene C H6 5CH2 3 l −12.0

CH

phenylethene C H6 l +104
5 CHCH2

chloromethane CH3Cl g −82.0 −58.0 +235

dichloromethane CH2 2 Cl l −124 +178

trichloromethane CHCl3 l −134 −74.0 +202

bromomethane CH Br 3 g −36.0 −26.0 +246

iodomethane CH3I l −14.0 +163

chloroethane C H2 5Cl g −137 −53.0

bromoethane C H Br 2 5 l −90.0 −26.0 +199

chlorobenzene C H6 5Cl l +11.0

methanol CH3OH l −239 −167 +127

ethanol C H2 5OH l −278 −175 +161

 phenol C H6 5OH s −165 +144

methanal HCHO g −109 −102 +219

ethanal CH3CHO g −166 −133 +264

propanone (CH ) 3 2CO l −248 +200

methanoic acid HCOOH l −425 −361 +129

ethanoic acid CH3COOH l −484 −390 +160

benzoic acid CHC 6 5 s −385 +168

OOH

methylamine CH3 2 NH g −23 +32.0 +243

water H O2 l −285.8 −237.1 +70.0

steam H O2 g −241.8 −228.6 +188.8

carbon CO g −110.5 −137.2 +197.7

monoxide

carbon dioxide CO2 g −393.5 −394.4 +213.8

hydrogen bromide HBr g −36.3 −53.4 +198.7

hydrogen chloride HCl g −92.3 −95.3 +186.9

hydrogen HF g −273.3 −275.4 +173.8

fluoride

hydrogen iodide HI g +26.5 +1.7 +206.6

12 Chemistry data booklet

n n

it

o r

c t

r
f

o
p

s e

a
i

pl

ht
f

n
e

.
b

31
t
.

P
n

i
5

0 w

1
o

⋅ ) 6 7 4 3 1 1 9 8 9 3 0 0 1 1

1 1 4
8 9 9 8 9 6 7 0 6 7 2
−
0

l 4
8 5 2 8 1 4 5
2 2 3 2 5 9

) 1 6 8 3 4 1 7 5 0 0
o 1
1 2 4 2
− − − − 2 5 3
− 3
1
2 7 2 2 7 6 2
5 9 0 −
− − − − −
− − −
−
m
l 0 6 7 5 1
7 0 5 7 1

1 J
o 2 2 3 2 − 3 1 3
3

− k
− − − − − −
− −

m (

c
Ö
J

k H

∆
c
Ö

e g s s g g g g g l l l l g g

∆ t

e l l s s l g g l l l

t
S

a 2 S C O 4 6 8 0 2 4 8 2 4 6

1 1 1 1 1
l

H H H H
H C H
H H H H H
u 2 3 2 4

4 5 6 8 6

C
a H H H H O O O O O O
C C C C

2 m
l C C C C C

)
H H H C C r
O O O O
5
u 1 2 2
7 9 5

1 ) )
o
C C C

H H H H 5
3 5 3
m H
3 4 6 2 F

6 H
r H H H
H
C
6 2
C C C
C
o ( C
C
C
C
F (
(

e n r ) e e e e e e e e e e e

e
c e u d n n n n n n n n n n

t i
f

g i a a a a a a a a e e
n l
x i
t t t
e l l l l e l l e e e
h h p x x
o h h
a u
o
t n c d
t u t
c o o o o n a a d n n r
t e e
s p o
-
- - n
e e b e o e
y d r
n n a n n o o
n s h h
a
3
1 1 - o
h y p
a e h a a n r p
a b o ,
- - m

t l
t 3 h
x e
h h h a g
m 1
n n u
-
e t t ( c
-
s e d
p p

a a l
y S
e e n y
n a
b t h
o
n
p t
x a c
a
r o
u o
u m
t o
o z u
l o
p b
b
r
S n
b
c n r b
h

r
p t e
y e a

a
e
c p
b c

0 o

.
f

o t

e n

i
r

u
)

s
c
Ö

e H

p (

a
n

d
i
t a

b m

m
e

o
h

t
c

f
f

o
o

s
y

e
p

l
a

a
h

t
v

e
e

Chemistry data booklet 13

14. Common oxidation states of the 3d ions

Sc Ti V Cr Mn Fe Co Ni Cu Zn

+1

+2 +2 +2 +2 +2 +2 +2 +2 +2

+3 +3 +3 +3 +3 +3 +3

+4 +4 +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 S C F OH H2O SCN NH CN CO 23 l
14 Chemistry data booklet
HO
16. Ligands
O
O
H2NNH2 HO
1,2-ethanediamine

O –
O HO
O
–
O
ONN O OH

ethanedioate EDTA 17. Colour wheel

647 nm 585 nm
Orange

700 nm 400 nm Violet Green 575 nm

Yellow
Red
Blue

424 nm 491 nm

Chemistry data booklet 15

18. Lattice enthalpies at 298 K (experimental

values)

The lattice enthalpy values lattice ( ) ∆H Ö given relate to the endothermic process M Xa b
aM g g b a (s) ( → +) bX ( ) 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
Born–Haber cycle.
Alkali metal halides −1
∆Hlattice kJ mol Ö ( )

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

Other
∆Hlattice kJ mol Ö ( )
substances Other
−1 ∆Hlattice kJ mol Ö ( )
substances
−1

CaF2 2651
BeC 2l SrO 3223
3033
MgC 2l BaO 3054
2540
CaC 2l CuC 2l 2824
2271
SrC 2l AgF 974
2170
BaC 2l
AgCl 918
MgO 2069
AgBr 905
CaO 3791
AgI 892
3401

16 Chemistry data booklet

19. Enthalpies of aqueous solutions

Solute −1
∆Hsol kJ mol Ö ( )
 NH4Cl +14.78 Solute −1
∆Hsol kJ mol Ö ( )
NH4 3 NO +25.69
LiF KCl +17.22
+4.73
LiCl KBr +19.87
−37.03
LiBr KI +20.33
−48.83
LiI RbF −26.11
−63.30
NaF RbCl +17.28
+0.91
NaCl RbBr +21.88
+3.88
NaBr RbI +25.10
−0.60
NaI CsF −36.86
−7.53
KF CsCl +17.78
−17.73
CsBr +25.98

CsI +33.35

Chemistry data booklet 17

20. Enthalpies of hydration

+ −346
Ra2
Cations −1
∆Hhyd kJ mol Ö ( ) −1587
+
Al 3

−538 −1523
+
Li
+
−424 Ga3
+
Na −340 +
In3
+ −315
K
+
−291 Tl3
+
Rb
−2524 +
Tl
Cs
+ −1963
+
−1616 Sn2
+
Be2
−1483 +
Pb2
+
Mg2 −1346

−1335
+
Ca2
−4741 Anions −1
∆Hhyd kJ mol Ö ( )
+
Sr2 −4745
− −504
F
+
−4171
Ba2 −359
−
−4163 Cl −328
 − −287
Br
−331
−
I −358
C Ol 3− −446
BrO3−
−205
IO3−
−519
C Ol 4−
−341
−
OH
−316
−
CN −383

−1486
NO3−
HCO3− −362
CO32− −1099
HSO4− −2921
SO42−
PO43−
18 Chemistry data booklet

21. Strengths of organic acids and bases

The acid strengths in the following tables are given in terms of pKa values, where pK K a
a = −log10 . 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 HCOOH 3.75

ethanoic CH3COOH 4.76

propanoic CH3 2 CH COOH 4.87

CH3 2 (CH )2COOH
butanoic 4.83
(CH ) 3 2CHCOOH
2-methylpropanoic 4.84
CH3 2 (CH )3COOH
pentanoic (CH ) 3 3CCOOH 4.83

2,2- C H6 5COOH 5.03

dimethylpropanoic C H6 5CH2COOH 4.20
benzoic 4.31
phenylethanoic

Halogenated carboxylic acids

Name Formula pKa

chloroethanoic CH2C Cl OOH 2.87

dichloroethanoic CHCl2COOH 1.35

CCl3COOH
trichloroethanoic 0.66
CH2FCOOH
fluoroethanoic 2.59
CH2BrCOOH
bromoethanoic CH2ICOOH 2.90

iodoethanoic 3.18

Chemistry data booklet 19

Phenols
Name Formula pKa
 phenol C H6 5OH 9.99

2-nitrophenol O N2 6 C H4OH 7.23

O N2 6 C H4OH
3-nitrophenol 8.36
O N2 6 C H4OH
4-nitrophenol 7.15
(O2 2 N) C H6 3OH
2,4-dinitrophenol (O2 3 N) C H6 2OH 4.07

2,4,6-trinitrophenol 0.42

Alcohols
Name Formula pKa

methanol CH3OH 15.5

ethanol CHO 2 5 H 15.5

Amines
Name Formula pKb

ammonia NH3 4.75

methylamine CH3 2 NH 3.34

CH3 2 CH NH2
ethylamine 3.35
(CH ) 3 2NH
dimethylamine 3.27
(CH ) 3 3N
trimethylamine (C2 2 H ) 5 NH 4.20

diethylamine (C2 3 H ) 5 N 3.16

triethylamine C H6 5NH2 3.25

phenylamine 9.13

20 Chemistry data booklet

22. 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 4.7 3.8–5.4 yellow blue

green methyl 5.1 4.4–6.2 red yellow
red
 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 21

23. Values of the ionization constant of water

Temperature ( ) C KW value

0 −
0 113 10 14 . ⋅
5
−
0 185 10 14 . ⋅
10

15 0 292 10 14 . ⋅
−

20 −
0 453 10 14 . ⋅
25
−
30 0 684 10 14 . ⋅

35 −
1 00 10 14 . ⋅
40
−
45 1 47 10 14 . ⋅

50 2 09 10 14 . ⋅
−

55
−
2 92 10 14 . ⋅
60
−
65 4 02 10 14 . ⋅
70 −
5 43 10 14 . ⋅
75
−
80 7 24 10 14 . ⋅

85 −
9 55 10 14 . ⋅
90
−
95 12 4 10 14 . ⋅

100 15 9 10 14 . ⋅
−

−
20 1 10 14 . ⋅

−
25 2 10 14 . ⋅
 −
31 3 10 14 . ⋅

−
38 3 10 14 . ⋅

−
46 6 10 14 . ⋅

−
56 0 10 14 . ⋅

22 Chemistry data booklet

24. Standard electrode potentials at 298 K

Oxidized species Reduced species E Ö (V)
 +− Li( ) s
Li aq e ()+ −3.04

+− K s( ) −2.93
K aq e ()+

+−
Ca aq e 2 2 ( ) + Ca( ) s −2.87

+− Na( ) s −2.71
Na aq e ()+

+− Mg( ) s −2.37
Mg aq e 2 2 ()+

+−
A a l q e 33 ( ) + A s l( ) −1.66

+−
Mn aq e 2 2 ( ) + Mn( ) s −1.18

−1 −
H O2 ( e l) + 2 H2 (g) O+ H (aq) −0.83
+− Zn( ) s
Zn aq e 2 2 ()+ −0.76

+−
Fe aq e 2 2 ( ) + Fe( ) s −0.45

+− Ni( ) s
Ni aq e 2 2 ()+ −0.26

+−
Sn aq e 2 2 ( ) + Sn( ) s −0.14

+− Pb( ) s
Pb aq e 2 2 ()+ −0.13

+− 1 0.00
H aq e ( ) + 2 H2 (g)
+− +
Cu aq e 2 ( ) + Cu aq ( ) +0.15

SO4 aq H (aq) e 2 4 2
−+−
( ) + + H SO (aq) H O( ) 2 3 + +0.17

+−
2 l Cu aq e 2 2 ( ) + Cu(s) +0.34

1 − −
2 O2 (g) H+ + 2O( ) e2 l 2OH aq ( ) +0.40
+−
Cu aq e ( ) + Cu(s) +0.52
1 − −
2 I2 ( ) s + e I (aq) +0.54
+− +
Fe aq e 3 ( ) + Fe aq 2 ( )
+0.77
+− Ag(s)
Ag aq e ()+
+0.80
1 − −
2Br2 ( )l + e Br (aq)
+1.09
1 +−
2O a 2 (g) H + + 2 2 ( ) q e H O2 ( )l
−+− + +1.23
Cr2O ( 7 aq) H a( ) q e 2 14 6 + + 2Cr H2O 3 7 (aq) +
 Chemistry data booklet 23

25. Activity series

Increasing
activity
Li
Cs
Rb
K
Ba
Sr
Ca
Na
Mg
Be
Al

Zn
Cr
Fe
Cd
Co
Ni
Sn
Pb

Sb
As
Bi
Cu
Ag
Pd
Hg
Pt
Au

24 Chemistry data booklet

a

ta x

d
r

o
d

e
y

s
h

a r

c
r

h
e
f

n i
h

I t
s

. e
e

62
,
n

y s

t
d s

i o

n r
t
s d

a s

i
n
s

b
e
s
e e

c
t t

e
e
e
n
k
l
I
s
e

s
p
a

n
i
n

l e
e

s
a

a
g
g i
g n
g
g
g ,

k
l
k
e

n
n k
n l
n
n s
n
a

m l
y
s
s
l

a
o a
o
o k
o
o a
o x

l
; y
o

r
r e
r e
r o
r
r o

o
o

a
h
k
t h
t
t r
t
t n
t n

m
b
o
e
s y
s o
s
s o
s
s
e

o
r
l

d
e d
c

k
k

r
l
l
w
l
l

u
a
h
-
l

i
b
c
f
a
a
m
a
a
c

d l
d r

I
F
n H
e

C
C
O
o O

B
C
m

–
B
–
–

) ≡
=
–
1 =
0
–
0
–
0
− 0

0 C
0
0 C
C
C
m
C
0 C
8 O
1
c 5
C
C

( 0
0
2

r
4
6
7

e
1
6
8
6

1 .

– s
–
–
–
u
–
e
–

l
–

0
e
0
0
0 c

0
v 0

0 e

a l

5
0
0 o
2

W 9

0 m

0
7
6
0 c

4
i

6
5
n

1
1
1 a
1

o
s s

r
e

n
l

e i

u t

s
s
c

n
e
e

l
o

o
t
d

m
n
r

b
c a

n
s

a g

g n
i

c
h

a
t

r
c

i t

l
s

t
e o

d
s

i n

p
r

c
o

s
t

b s

a
r

d
t

e c

a r

a
f

h
n

Chemistry data booklet 25

27. 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 Chemical shift (ppm)

CH3 0.9–1.0

CH2R 1.3–1.4

CHR2 1.5

O 2.0–2.5
C
RO CH2

O 2.2–2.7
C
R CH2

CH3 2.5–3.5

CCH 1.8–3.1

CH2 Hal 3.5–4.4

R O CH2 3.3–3.7

O 3.7–4.8
C
R O CH2

O 9.0–13.0
 C
ROH

ROH 1.0–6.0

CH CH2 4.5–6.0

OH 4.0–12.0

26 Chemistry data booklet

Type of proton Chemical shift (ppm)

H 6.9–9.0

O 9.4–10.0
C
RH

28. Mass spectral fragments lost

Mass lost Fragment lost

15 CH3

17 OH

18 H O2

28 CH2 2 =CH C, =O

29 CH3 2 CH , CHO

31 CH3O

45 COOH

Chemistry data booklet 27

29. Triangular bonding diagram

Electronegativity difference of bonding % covalent % ionic
van Arkel-Ketelaar Triangle
8
92

Electronegativity
difference
 ∆χ χ = − χ a b − χ
Ionic

Polar
covalent

3.0

2.5
25
75

2.0

50
50
1.5

75
25
1.0

0.5
Metallic Covalent

100
0
0

0.79 1.0 1.5 2.0 2.5 3.0 3.5 4.0 Average electronegativity ∑

=( )+

χχ χ a b
2
28 Chemistry data booklet

30. Resin identification codes

Resin Plastic types Resin Plastic types

Identification Identification
Code (RIC) Code (RIC)

1 polyethene 5 polypropene
PETE terephthalate
PP

2 high-density 6 polystyrene
HDPE polyethene
PS

3 polyvinyl 7 other
PVC chloride
OTHER

4 low-density
LDPE polyethene

31. Representations of some materials molecules

Clm n
Cl Clm
Cln O
OO

polychlorinated biphenyls 1,4-dioxin polychlorinated dibenzofuran

Cl O Cl Cl Cln Clm
O
Cl O
O

2,3,7,8-tetrachlorodibenzodioxin polychlorinated dibenzo-p-dioxin Chemistry data booklet 29

32. Solubility product constants at 298 K

 Compound Ksp

BaCO3 −
2 58 10 9 . ⋅

−
2 55 10 4 . ⋅
Ba(OH) 8H O 2 2 ⋅

BaSO4 −
1 08 10 10 . ⋅

CdCO3 −
1 0 10 12 . ⋅

Cd(OH)2 −
7 2 10 15 . ⋅

PbCO3 −
7 40 10 14 . ⋅

Pb(OH)2 −
1 43 10 20 . ⋅

PbSO4 −
2 53 10 8 . ⋅

Hg2 3 CO −
3 6 10 17 . ⋅

Hg2 4 SO −
6 5 10 7 . ⋅

NiCO3 −
1 42 10 7 . ⋅

Ni(OH)2 −
5 48 10 16 . ⋅

Ag2 3 CO −
8 46 10 12 . ⋅

Ag2 4 SO −
1 20 10 5 . ⋅

ZnCO3 −
1 46 10 10 . ⋅

Zn(OH)2 −
3 0 10 17 . ⋅

30 Chemistry data booklet

33. 2-amino acids

Common name Symbol Structural formula pH of
isoelectric
point

alanine Ala H2N CH 6.0

COOH
 CH3

arginine Arg H2N CH 10.8

COOH
CH2 CH2 NH C NH2
CH2
NH

asparagine Asn H2N CH 5.4

COOH
C NH2
CH2
O

aspartic acid Asp H2N CH 2.8

COOH
CH2
COOH

cysteine Cys H2N CH 5.1

COOH
CH2
SH

glutamic acid Glu H2N CH 3.2

COOH
CH2
CH2 COOH

glutamine Gln H2N CH 5.7

COOH
NH2
CH2
CH2 C
O

glycine Gly H2N CH2 COOH 6.0

histidine His H2N CH 7.6

COOH

CH2

N
N
H

isoleucine Ile H2N CH 6.0

COOH
H3C CH
 CH2 CH3

leucine Leu H2N CH 6.0

COOH
CH2
H3C CH CH3

Chemistry data booklet 31

Common name Symbol Structural formula pH of

isoelectric
point

lysine Lys H2N CH 9.7

COOH
CH2 CH2 CH2 NH2
CH2

methionine Met H2N CH 5.7

COOH

CH2 CH2 S CH3

phenylalanine Phe H2N CH 5.5

COOH

CH2

proline Pro COOH 6.3

HN

serine Ser H2N CH 5.7

COOH
CH2
OH

threonine Thr H2N CH 5.6

COOH
H3C OH
CH

tryptophan Trp H2N CH 5.9

COOH

CH2

NH
 tyrosine Tyr H2N CH 5.7
COOH

CH2

OH

valine Val H2N CH 6.0

COOH
H3C CH3
CH

32 Chemistry data booklet

34. Lipids, carbohydrates and nucleotide

components
Lipids

Octanoic acid CH3 2 (CH )6COOH

Lauric acid CH3 2 (CH )10COOH
Palmitic acid CH3 2 (CH )14COOH
Stearic acid CH3 2 (CH )16COOH
Oleic acid CH3 2 (CH )7 2 CH=CH(CH )7COOH
Linoleic acid CH3 2 (CH )4 2 (CH=CHCH )2 (CH ) 2 6COOH
α-Linolenic acid CH3 2 CH (CH=CHCH2 2 ) ( 3 CH ) C6 OOH

H3C CH2
2
CH3CH2CH CHCH3
CH

CH3
CH3

HO

cholesterol

Carbohydrates
HCO OH
CH2 CH2OH
H C OH HO C H H H O OH H H OH OH
C OH H C OH H CO
CH2OH HO C H H C OH H
HO
H C OH CH2OH

straight chain glucose α-glucose straight chain fructose Chemistry data booklet 33

CH2OH CH2OH H OH H H
H OH OH H H H OH OH
O O
CH2OH OH

α-fructose ribose

CH2OH O OH

HH

H
H

OH H
deoxyribose

Nitrogenous bases

NH2 O NH2
C C N H N C N N CH
N CH C CH C

HC N H 2N C N O C
NC NC NCH H
H H
adenine guanine cytosine

H N OC CH H N OC C CH3

O C O C
NCH H NCH H
 uracil thymine

34 Chemistry data booklet

35. Vitamins and pigments

Vitamins

O
CH3 HO
HC 3 CH C CH3
CHCCH CH CH CH CH3
CH3 CH OH
OH CH2
2 HO
CH OHO
retinol (vitamin A) ascorbic acid (vitamin C)

H 3C CH 2 2
CH CH CH2CH CH CH3 CH3
H 3C CH

CH2 vitamin D (D3)

HO
 Chemistry data booklet 35
Pigments

H 2C NN CH2 H 3C CH2 CH3

OH CH2
O
H 3C
HC
CH CH3 N N Fe
CH2
CH2
CH H 3C
Mg HO
O NN CH
CH R
CH3
H 2C CH2 CH N CH3
H CH O
N
C
H2 H
C O CH3 CH3 CH
OO O
R=CH3 (chlorophyll a)
R=CHO (chlorophyll b)

C20H39 CH2
chlorophyll heme B

R R
OH OH

O OH O O
glucose glucose
O
+
O OH
R
R HO

quinoidal base (blue) flavylium cation (red)

CH3 CH3 CH3 H3C

H3C CH CH CH CH CH CH CH
CHC CH CHC CH CH C CH C CH

CH3 CH3 CH3 CH3 α-carotene H3C CH3

H3C CH3 CH3

H3C CH CH CH CH CH CH CH
CHC CH CHC CH CH C CH C CH

CH3 H3C β-carotene CH3 CH3

CH3
 36 Chemistry data booklet
CH3 C 3 HC
H3 CH HC CH O
CH3
O CH
CH C
CH CH CH3
CH3
CH3
C
CH H3C CH3 CH CH
CH CH C
11-cis-retinal CH3 CH CH
C

all-trans-retinal

36. Binding energy

curve 9

Ve
6
7
Li
M

o
6
Li
e

lc

u
5
n

e
4
p

gr

n 3
e 3
H
g

id

n
3
He
i

2
b

r
2
H
e
1
v

12 1
H
56
Fe 235U 16O C
0
8
0 30 60 90 120 150 180 210 240 270 Number of nucleons in
nucleus
238
U
4
He
7

Chemistry data booklet 37

37. Representations of some medicinal molecules

OC O R NH C O N S
OH O
C CH3 CH3

C
HO O
H 3C O

aspirin penicillin (general structure)

H3C CH3 C OH

H 2C H N

H3C C COOH H H CO CH3

ibuprofen paracetamol (acetaminophen)

H 3C N CH2 OH H 3C N CH2 CH2 O

OCH3
CH2 OH O OH
morphine codeine

CH2 O NH O
CCH3 O
H 3C N CH2 N
H 3C S
O O O N CH3

CH3 CH3 O CH3

OC

diamorphine (heroin) omeprazole

38 Chemistry data booklet

H 3C N –
O N
+
S NH NH
O CH3

ranitidine HO

OH
O
H 2N
H 3C O
O
HO O CH3
H 3C NH H 3C NH O
O O OH
H 3C H 3C HN
O
HN NH2

oseltamivir zanamivir

O
CH3

O NH H 3C CH3 CH3OH
O O

O taxol O
O
CH3 CH3 O
O
OH
OH O O

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