C

PHYSICAL PROPERTY
DATA BANK
Inorganic compounds are listed in alphabetical order of the principal element in the empirical
formula.
Organic compounds with the same number of carbon atoms are grouped together and arranged in
order of the number of hydrogen atoms, with other atoms in alphabetical order.
A searchable spreadsheet containing the physical property data and models is available in the
online material at http://books.elsevier.com/companions.
NO Number in list
MOLWT Molecular weight
TFP Normal freezing point, deg C
TBP Normal boiling point, deg C
TC Critical temperature, deg K
PC Critical pressure, bar
VC Critical volume, cubic meter/mol
LDEN Liquid density, kg/cubic meter
TDEN Reference temperature for liquid density, deg C
HVAP Heat of vaporization at normal boiling point, J/mol
VISA, VISB Constants in the liquid viscosity equation:

LOG[viscosity] [VISA]
[(1=T)  (1=VISB)], viscosity mNs=sq:m, T deg K:

DELHF Standard enthalpy of formation of vapor at 298 K, kJ/mol.
DELGF Standard Gibbs energy of formation of vapor at 298 K, kJ/mol.
CPVAPA, CPVAPB, CPVAPC, CPVAPD Constants in the ideal gas heat capacity
equation:

Cp CPVAPA (CPVAPB)
T (CPVAPC)
T

Cp = J/mol K, T deg K.

2 (CPVAPD)
T

3,

ANTA, ANTB, ANTC Constants in the Antione equation:

Ln (vapor pressure) ANTA  ANTB=(T ANTC), vap: press: mmHg, T deg K:

To convert mmHg to N/sq.m multiply by 133.32.
To convert degrees Celsius to Kelvin add 273.15.
TMN Minimum temperature for Antoine constant, deg C
TMX Maximum temperature for Antoine constant, deg C

Most of the values in this data bank were taken, with the permission of the publishers, from
The Properties of Gases and Liquids, 3rd ed., by R. C. Reid, T. K. Sherwood, and J. M. Prausnitz,
McGraw-Hill.

C- 1

FORMULA
AR
BCL3
BF3
BR2
CLNO
CL2
CL3P
CL4SI
D2
D2O
F2
F3N
F4SI
F6S
HBR
HCL
HF
H1
H2
H2O
H2S
H3N
H3P
H4N2
H4SI
HE(4)
I2
KR
NO
NO2
N2
N20
NE
O2
O2S
O3
O3S
XE
CBRF3
CCLF3
CCL2F2
CCL2O
CCL3F
CCL4
CF4
CO
COS
CO2
CS2
CHBR3

NO

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50

ARGON
BORON TRICHLORIDE
BORON TRIFLUORIDE
BROMINE
NITROSYL CHLORIDE
CHLORINE
PROSPHORUS TRICHLORIDE
SILICON TETRACHLORIDE
DEUTERIUM
DEUTERIUM OXIDE
FLUORINE
NITROGEN TRIFLUORIDE
SILICON TETRAFLUORIDE
SULFUR HEXAFLUORIDE
HYDROGEN BROMIDE
HYDROGEN CHLORIDE
HYDROGEN FLUORIDE
HYDROGEN IODIDE
HYDROGEN
WATER
HYDROGEN SULPHIDE
AMMONIA
PHOSPHINE
HYDRAZINE
SILANE
HELIUM4
IODINE
KRYPTON
NITRIC OXIDE
NITROGEN DIOXIDE
NITROGEN
NITROUS OXIDE
NEON
OXYGEN
SULFUR DIOXIDE
OZONE
SULFUR TRIOXIDE
XENON
TRIFLUOROBROMOMETHANE
CHLOROTRIFLUOROMETHANE
DICHLORODIFLUOROMETHANE
PHOSGENE
TRICHLOROFLUOROMETHANE
CARBON TETRACHLORIDE
CARBON TETRAFLUORIDE
CARBON MONOXIDE
CARBONYL SULPHIDE
CARBON DIOXIDE
CARBON DISULPHIDE
BROMOFORM

COMPOUND NAME
39.948
117.169
67.805
159.808
65.459
70.906
137.333
169.898
4.032
20.031
37.997
71.002
104.080
146.050
80.912
36.461
20.006
127.912
2.016
18.015
34.080
17.031
33.998
32.045
32.112
4.003
253.808
83.800
30.006
46.006
28.013
44.013
20.183
31.999
64.063
47.998
80.058
131.300
148.910
104.459
120.914
98.916
137.368
153.823
88.005
28.010
60.070
44.010
76.131
94.940

MOLWT
 185.9
12.5
 99.9
58.7
 5.5
 34.5
75.8
57.2
 249.5
101.4
 188.2
 129.1
 86.2
 63.9
 67.1
 85.1
19.5
 35.6
 252.8
100.0
 60.4
 33.5
 87.5
113.5
 112.2
 269.0
184.3
 153.4
 151.8
21.1
 195.8
 88.5
 246.2
 183.0
 10.2
 111.9
44.8
 108.2
 59.2
 81.5
 29.8
7.6
23.8
76.5
 128.0
 191.5
 50.3
 78.5
46.2
3.5

 189.9
 107.3
 126.7
 7.2
 59.7
 101.0
 112.2
 68.9
 254.5
3.8
 219.7
 206.8
 90.2
 50.7
 86.1
 114.2
 83.2
 50.8
 259.2
0.0
 85.6
 77.8
 133.8
1.5
 185.0
150.8
452.0
260.8
584.0
440.0
417.0
563.0
507.0
38.4
644.0
144.3
234.0
259.0
318.7
363.2
324.6
461.0
424.0
33.2
647.3
373.2
405.6
324.8
653.0
269.7
5.2
819.0
209.4
180.0
431.4
126.2
309.6
44.4
154.6
430.8
261.0
491.0
289.7
340.2
302.0
385.0
455.0
471.2
556.4
227.6
132.9
375.0
304.2
552.0
464.0

TC

37.5
16.6
216.6
52.2
45.3
37.2
37.6
85.5
83.1
64.8
83.1
13.0
220.5
89.4
112.8
62.7
146.9
48.4
2.3
116.5
55.0
64.8
101.3
33.9
72.4
27.6
50.5
78.8
55.7
82.1
58.4
39.7
39.2
41.2
56.7
44.1
45.6
37.4
35.0
58.8
73.8
79.0
66.1

48.7
38.7
49.9
103.4
91.2
77.0

PC

0.057
0.155
0.091
0.058
0.170
0.090
0.097
0.042
0.073
0.122
0.089
0.130
0.118
0.200
0.180
0.217
0.190
0.248
0.276
0.140
0.093
0.140
0.094
0.170
0.162

 115
20
25
 192
 99
20
0
0

1750
1361
1584
803
1274
777
1293
1733

20
88
 269
180
 153
 152
20
 195
 90
 246
 183
 10
 112
45
 108

1008
680
123
3740
2420
1280
1447
805
1226
1204
1149
1455
1356
1780
3060

0.198
0.100
0.081
0.069
0.131
0.065
0.056
0.099
0.073
0.113
0.096

20
 12
 34
21
20
 250
20
 188
 129
 95
 50
 57
 85
20
 36
 253
20
 60
0

3119
1420
1563
1574
1480
165
1105
1510
1537
1660
1830
2160
1193
967
2803
71
998
993
639

0.127
0.139
0.124
0.260
0.326
0.060
0.056
0.066

 183
11

TDEN

1373
1350

LDEN

0.075

VC

17,166
26,754
24,241

15,516
19,979
24,409
24,786
30,019
11,974
6046

92
41,868
9667
13,816
19,071
5581
16,559
1842
6824
24,932
11,179
40,679
13,013

17,668
16,161
6699
19,778
904
40,683
18,673
23,362
14,725
44,799

27,549
1223
41,366
6531

30,187
25,707
20,432

6531

HVAP
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50

NO

APPENDIX C

 181.2
 157.8
 128.2
 111.2
 23.2
 186.8
 205.1
 138.9
 56.6
 111.9
 178.3

113.6
 157.4
 163.7
 11.3
 209.9
 90.9
 248.7
 218.8
 75.5
 192.7
16.8
 111.9

TBP

TFP

C- 2
PHYSICAL PROPERTY DATA BANK

58.76

292.79
172.35

8.38
304.58
52.52

180.75
166.32
277.74
199.62
285.43
5.39
283.16
165.54
169.63
290.88

520.55

230.21
46.14

51.50
208.42
120.34
315.99

165.55

290.84
48.90
185.24
200.22

107.57

387.82

191.96

19.67
757.92
84.20

251.29
88.08
372.78
438.74
155.15
13.82
658.25
342.79
349.02

524.98

559.62

406.20
90.30

85.68
397.85
313.79
1372.80

215.09

540.15

94.06

578.08
274.08

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50

VISB

VISA

NO

 127.19
 1117.88
 53.30
 95.33
 273.40
1.59
 228.77
 33.08
 16.16

 124.68
 1221.71
 36.26
 92.36
 271.30
26.38
 242.00
 20.18
 45.72
229.44
95.25
32.66

 300.36
162.91
 370.62
 623.00
 654.40
 442.54
 206.91
 245.51
 58.28
 889.03
 137.37
 165.76
 394.65
66.95

 649.37
 695.01
 481.48
 221.06
 284.70
 100.48
 933.66
 110.62
 138.50
 393.77
117.15
 36.34

103.71

81.60
 297.05
142.77
 395.53

86.75
52.00

90.43
33.87

158.64
54.93

 234.80

66.99

DELGF

 249.41

52.63

DELHF

12.041E-09

 3.462E-05

36.568E-03

23.216

22.814
31.598
28.089
40.985
40.717
13.980
30.869
23.567
19.795
27.444

29.345
24.233
31.150
21.621
20.786
28.106
23.852
20.545
16.370

35.592

30.647
30.291
29.061
31.158
27.143
32.243
31.941
27.315
23.228
9.768
11.179

17.459E-06
 4.961E-05
 6.243E-05
 1.120E-04

 3.680E-06
66.989E-03
80.093E-03
14.591E-02

 1.576E-04
 1.509E-04
 1.374E-04
 1.416E-04
 2.270E-04
 1.625E-04
27.892E-06
 7.017E-05
 5.602E-05
 7.666E-05

97.469E-07
 2.081E-05
26.796E-06
 5.778E-05

 9.378E-04
48.358E-03
 1.357E-02
72.808E-03

19.113E-02
17.823E-02
13.607E-02
16.308E-02
20.486E-02
20.256E-02
 1.285E-02
79.842E-03
73.436E-03
81.266E-03

28.345E-10

 6.988E-06

65.147E-04

44.589E-09
43.417E-09
50.702E-09
41.462E-09
88.425E-09
45.134E-09
 1.272E-08
24.535E-09
17.153E-09
26.729E-09

 1.065E-08
13.281E-09
16.973E-09
32.423E-09

 4.187E-09
29.308E-11
 1.168E-08
18.301E-09

 6.238E-09
 3.898E-09
25.037E-10
 1.353E-08
76.451E-10
 3.596E-09
 1.176E-08
 1.185E-08
 1.593E-08
60.248E-09
68.412E-10

 17.224E-06
12.460E-06
 2.032E-06
29.722E-06
 1.381E-05
10.555E-06
24.321E-06
17.074E-06
13.029E-06
 1.657E-04
 5.548E-05

 9.462E-03
 7.201E-03
66.110E-05
 1.428E-02
92.738E-04
19.238E-04
14.365E-04
23.831E-03
44.003E-03
18.945E-02
12.200E-02

2634.16
157.89

15.8019
13.2954

 3.684E-09

11.698E-06

 6.406E-03

30.250

3103.39
2690.85
3163.17

2167.31
2401.61
2808.19
1244.55
530.22

3877.65
1629.99
33.73
3709.23
958.75
1572.52
4141.29
588.72
1506.49
180.47
734.55
2302.35
1272.18
3995.70
1303.92

2524.78
1242.53
1714.25
3404.49
957.96
164.90
3816.44
1768.69
2132.50

714.10
1155.69

 60
 33
 20
 180
 210
 119
 45
101

 0.16
 31.62
 72.18

15
 111
 269
110
 160
 178
 43
 219
 129
 249
 210
 78
 164
17
 115

 45.15
5.35
1.79
 68.16
 8.71
 4.88
3.65
 6.60
25.99
 2.61
 6.45
 35.97
 22.16
 36.66
 14.50

 43.15
 36.30
 45.99
 13.06
 13.15

 114
 89
 136
 67
 58
 259
11
 83
 94

 11.16
 47.86
 14.45
15.06
 85.06
3.19
 46.13
 26.06
 32.98

 214
 170

 35
 254

 43.15
 6.00
 15.37

 14
 63
 101

 192

TMN

 51.56
 23.46
 27.01

 5.84

ANTC

 69
69
30

68
27
101
 125
 165

70
 179
 269
214
 144
 133
47
 183
 73
 244
 173
7
 99
59
 95

 53
 52
 73
40
 17
 248
168
 43
 12

 182
 118

91
 248

81
12
9

 179

TMX
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50

NO

PHYSICAL PROPERTY DATA BANK

22.5898
15.9844
15.7078

15.7565
15.8516
15.8742
16.0543
14.3686

17.9899
16.3424
12.2514
16.1597
15.2677
20.1314
20.5324
14.9542
16.1271
14.0099
15.4075
16.7680
15.7427
20.8403
15.2958

19.3785
14.4687
16.5040
17.6958
12.9149
13.6333
18.3036
16.1040
16.9481

15.6700
15.6107

2582.32
2520.70
1978.32

15.8441
16.9505
15.9610

45.343E-10
10.149E-09
15.470E-09

 1.192E-05
 3.340E-05
 3.869E-05

11.254E-03
44.715E-03
33.838E-03

33.859
34.097
26.929

700.51

15.2330

ANTB

51.665E-09

ANTA

 3.211E-05

20.804

CPVAPD

CPVAPC

CPVAPB

CPVAPA

APPENDIX C

C-3

MOLWT
86.469
102.923
119.378
27.026
173.835
84.993
30.026
46.025
94.939
50.488
34.033
141.939
61.041
16.043
32.042
48.107
31.058
46.072
46.145
154.467
170.992
170.922
187.380
165.834
203.831
100.016
138.012
52.035
131.389
114.024
26.038
64.035
42.038
62.499
100.490
78.498
133.400
46.044
84.041
41.053
57.052
28.054
98.960
98.960
66.051
44.054
44.054
60.052
60.052
108.966

CHLORODIFLUOROMETHANE
DICHLOROFLUOROMETHANE
CHLOROFORM
HYDROGEN CYANIDE
DIBROMOMETHANE
DICHLOROMETHANE
FORMALDEHYDE
FORMIC ACID
METHYL BROMIDE
METHYL CHLORIDE
METHYL FLUORIDE
METHYL IODIDE
NITROMETHANE
METHANE
METHANOL
METHYL MERCAPTAN
METHYL AMINE
METHYL HYDRAZINE
METHYL SILANE
CHLOROPENTAFLUOROETHANE
1;1-DICHLORO-1;2;2;2-TETRAFLUOROETHANE
1;2-DICHLORO-1;1;2;2-TETRAFLUOROETHANE
1;2-DICHLORO-1;1;2;2-TETRAFLUOROETHANE
TETRACHLOROETHYLENE
1;1;2;2-TETRACHLORO-1;2-DIFLUOROETHANE
TETRAFLUOROETHYLENE
HEXAFLUOROETHANE
CYANOGEN
TRICHLOROETHYLENE
TRIFLUROROACETIC ACID
ACETYLENE
1;1-DIFLUOROETHYLENE
KETENE
VINYL CHLORIDE
1-CHLORO-1;1-DIFLUOROETHANE
ACETYL CHLORIDE
1;1;2-TRICHLOROETHANE
VINYL FLUORIDE
1;1;1-TRIFLUOROETHANE
ACETONITRILE
METHYL ISOCYANATE
ETHYLENE
1;1-DICHLOROETHANE
1;2-DICHLOROETHANE
1;1-DIFLUOROETHANE
ACETALDEHYDE
ETHYLENE OXIDE
ACETIC ACID
METHYL FORMATE
ETHYL BROMIDE

51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100

CHCLF2
CHCL2F
CHCL3
CHN
CH2BR2
CH2CL2
CH2O
CH2O2
CH3BR
CH3CL
CH3F
CH3I
CH3NO2
CH4
CH4O
CH4S
CH5N
CH6N2
CH6SI
C2CLF5
C2CL2F4
C2CL2F4
C2CL3F3
C2CL4
C2CL4F2
C2F4
C2F6
C2N2
C2HCL3
C2HF3O2
C2H2
C2H2F2
C2H2O
C2H3CL
C2H3CLF2
C2H3CLO
C2H3CL3
C2H3F
C2H3F3
C2H3N
C2H3NO
C2H4
C2H4CL2
C2H4CL2
C2H4F2
C2H4O
C2H4O
C2H4O2
C2H4O2
C2H5BR

NO FORMULA COMPOUND NAME

TC
369.2
451.6
536.4
456.8
583.0
510.0
408.0
580.0
464.0
416.3
317.8
528.0
588.0
190.6
512.6
470.0
430.0
567.0
352.5
353.2
418.6
418.9
487.2
620.0
551.0
306.4
292.8
400.0
571.0
491.3
308.3
302.8
380.0
429.7
410.2
508.0
602.0
327.8
346.2
548.0
491.0
282.4
523.0
561.0
386.6
461.0
469.0
594.4
487.2
503.8
0.129
0.240
0.220
0.181
0.154
0.140
0.171
0.172
0.215

0.113
0.154
0.145
0.169
0.231
0.204
0.294
0.144
0.221
0.173

0.256

0.175
0.224

39.4
59.8
49.1
32.6
61.4
44.6
64.8
56.0
41.2
58.8
41.5
52.4
37.6
48.3
55.7
50.4
50.7
53.7
45.0
55.7
71.9
57.9
60.0
62.3

0.252
0.294
0.293
0.304
0.290

0.139
0.124
0.190
0.173
0.099
0.118
0.145
0.140
0.271

0.193

0.165
0.197
0.239
0.139

VC

31.6
33.0
32.6
34.1
44.6

86.1
66.8
58.8
65.9
63.1
46.0
81.0
72.3
74.6
80.4

49.8
51.7
54.7
53.9
71.9
60.8
65.9

PC

 14
30
20
20

20
20
 110
25
16
20
0
20
20
25

782
958
577
1168
1250
778
899
1049
974
1451

20
0
 84

25
4
16
20
25
 76
 78

16
9
20
20
20
25
 20
15
5
20
 60
20
20
 161
20
20
 14

TDEN

969
1100
1104
1441

1462
1535
615

1455
1480
1580
1620
1645
1519
1590

1230
1380
1489
688
2500
1317
815
1226
1737
915
843
2279
1138
425
791
866
703

LDEN

HVAP

19,176
31,401
29,601
13,553
28,721
32,029
21,353
25,749
25,623
23,697
28,219
26,502

28,680
33,327

20,641
20,641

16,957

31,401

16,161

23,279
27,507
34,750

19,469

27,214
34,436
8185
35,278
24,577
26,000

28,010
23,027
21,939
23,928
21,436

20,205
24,953
29,726
25,234

51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100

NO

APPENDIX C

 169.2
 97.0
 35.7
 117.0
 123.0
 112.2
16.6
 99.0
 118.6

 135.2
 153.8
 131.2
 113.0
 36.7
 143.2
 111.3
 43.9

 41.2
 13.4
 9.8
50.7
113.7
 37.7
 47.7
81.6
38.8
 103.8
57.2
83.4
 24.8
20.4
10.3
117.9
31.7
38.3

 40.8
8.8
61.1
25.7
96.8
39.8
 19.2
100.6
3.5
 24.3
 78.4
42.4
101.2
 161.5
64.6
5.9
 6.4
90.8
 57.6
 39.2
3.8
3.7
47.5
121.1
91.5
 75.7
 78.3
 20.7
87.2
72.4
 84.0

 156.5
 106.2
 94.2
 93.9
 35.0
 22.2
24.8
 142.5
 100.8
 27.9
 116.4
 15.3
 80.8

TBP

TFP
 160.2
 135.2
 63.6
 13.3
 52.6
 95.1
 117.2
8.3
 93.7
 97.8
 141.8
 66.5
 28.6
 182.5
 97.7
 123.2
 93.5

C- 4
PHYSICAL PROPERTY DATA BANK

51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100

NO

246.50
145.31
294.57
225.13
171.35
325.72
211.15
193.56
229.95
261.21
57.60
260.64
176.30

281.82

196.60

167.04

304.43

210.05
227.47
93.94
239.10
277.98
186.56
192.82
194.22
306.21
212.70
220.68

336.19
452.80
114.14
555.30

311.80

392.58

145.67

276.90

346.72

334.91
616.78
168.98
412.27
473.95
319.27
368.70
341.88
600.94
363.19
369.80

VISB

394.81
194.70
428.91
359.55
319.83
729.35
298.15
426.45

VISA
 470.89
 268.37
 68.58
120.20
 5.61
 68.91
 109.99
 351.23
 28.18
 62.93
 210.14
15.66
 6.95
 50.87
 162.62
 9.92
32.28
177.98

22.61
 624.13
 1258.22
297.39
19.89
209.34
 321.71
 60.33
51.54
 206.37
 77.54
 679.22
105.67

 502.00
 298.94
 101.32
130.63
 4.19
 95.46
 115.97
 378.86
 37.68
 86.37
 234.04
13.98
 74.78
 74.86
 201.30
 22.99
 23.03
85.41

 898.49
 745.67
 12.14
 659.00
 1343.96
309.15
 5.86
226.88
 345.41
 61.13
35.17
 244.09
 138.58
 746.09
87.92
 90.02
52.33
 130.00
 129.79
 494.04
 166.47
 52.67
 435.13
 350.02
 64.06

34.918E-02
32.783E-02
34.399E-02
28.742E-02
22.554E-02

27.834
40.453
38.778
61.140
45.971

5.744
20.482
35.764
3.806
12.472
20.486
8.675
7.716
 7.519
4.840
1.432
6.657

26.821
3.073
6.385
5.949
16.818
25.020
6.322
31.409E-02
10.831E-02
10.396E-02
15.659E-02
26.959E-02
23.103E-02
23.957E-02
18.225E-02
22.224E-02
25.485E-02
27.001E-02
23.480E-02

75.781E-03
24.447E-02
16.383E-02
20.193E-02
27.566E-02
17.107E-02
34.307E-02

22.772E-02
34.579E-02
92.528E-03
22.868E-02

16.232E-02
31.568E-03
13.578E-02
10.911E-02
10.140E-02
86.164E-03
13.892E-02
19.778E-02
52.126E-03
70.924E-03
14.566E-02
14.273E-02

12.954
23.475
11.715
14.428
13.875
13.825
10.806
7.423
19.251
21.152
13.268
11.476

29.010
26.816
35.935
30.174

16.182E-02
15.814E-02
18.933E-02
60.625E-03

CPVAPB

17.300
23.664
24.003
21.863

CPVAPA

 2.597E-04
 4.492E-05
 5.820E-06
 8.348E-05
 2.050E-04
 1.438E-04
 1.457E-04
 1.007E-04
 1.256E-04
 1.753E-04
 1.949E-04
 1.472E-04

84.155E-09
32.029E-10
 1.687E-08
17.551E-09
63.011E-09
33.888E-09
33.942E-09
23.802E-09
25.916E-09
49.488E-09
57.024E-09
38.041E-09

14.122E-09
70.213E-09
26.984E-09
47.730E-09
53.047E-09
22.190E-09
97.929E-09

 5.007E-05
 2.099E-04
 1.084E-04
 1.536E-04
 1.992E-04
 9.856E-05
 2.958E-04

81.391E-09
78.209E-09
85.076E-09
69.040E-09
83.820E-09

 2.891E-04
 2.752E-04
 2.950E-04
 2.420E-04
 2.294E-04
67.784E-09
81.350E-09
29.496E-09
82.438E-09

42.077E-09
 2.300E-08
20.168E-09
95.836E-10
25.665E-10
 1.985E-09
34.855E-09
20.850E-09
 1.132E-08
 2.852E-08
20.750E-09
47.520E-10

 1.302E-04
29.852E-06
 8.411E-05
 5.401E-05
 3.889E-05
 2.071E-05
 1.041E-04
 1.081E-04
11.974E-06
25.870E-06
 8.545E-05
 5.334E-05

 2.037E-04
 2.869E-04
 8.223E-05
 2.229E-04

30.585E-09
32.636E-09
66.570E-09
18.154E-09

CPVAPD

 1.170E-04
 1.200E-04
 1.841E-04
 4.961E-05

CPVAPC

15.8965
16.2874
16.3258
15.5368
16.0842
16.1764
16.1871
16.2418
16.7400
16.8080
16.5104
15.9338

1814.91
2945.47
2480.37
1347.01
2697.29
2927.17
2095.35
2465.15
2567.61
3405.57
2590.87
2511.68

2447.33
3110.79

1849.21
1803.84

16.0197
14.9601
15.7514
16.0381

1637.14

3028.13

1574.60
1512.94

2532.61
3259.29

1848.90

2622.44
2204.13
3599.58
2271.71
2077.97
1704.41
2629.55
2972.64
597.84
3626.55
2338.38
2484.83
2319.84

2696.79
2585.80

1704.80

ANTB

16.3481

16.1827

15.8800
15.6422

15.8424
16.1642

15.7343

16.3029
16.4775
16.9882
16.0252
16.1052
16.3428
16.0905
16.2193
15.2243
18.5875
16.1909
17.2622
15.1424

15.9732
16.5138

15.5602

ANTA

 29.92
 49.15
 56.31
 18.15
 45.03
 50.22
 29.16
 37.15
 29.01
 56.34
 42.60
 41.44

3
 13
 43
 153
 31
 33
 35
 63
 73
17
 48
 47

 36
29

 103
 88

 35.15
 43.15
 55.53
 56.16

 79

 13

 43.15
 19.77

 133
 103

 23
34

 98

 27.22
 26.94

 45.67
 52.15

 30.88

 44
 88
2
 58
 93
 132
 13
5
 180
 16
 73
 61
3

 13
 39

 46.16
 37.15
 41.70
 30.15
 26.09
 34.83
 29.55
 19.27
 36.50
 64.15
 7.16
 34.29
 34.44
 32.92
 91.70

 48

TMN

 41.30

ANTC

27
117
67
91
79
100
0
47
37
157
51
60

82
155

 18
17

 71

127

 63
 73

87
187

 43

59
2
136
53
7
 64
52
136
 153
91
27
38
127

97
57

 33

TMX
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100

NO

PHYSICAL PROPERTY DATA BANK

68.16
 73.14
 73.90
 436.52
 133.39
 13.10
 376.94
 297.39
 26.33

DELGF

DELHF

APPENDIX C

C- 5

FORMULA
C2H5CL
C2H5F
C2H5N
C2H5NO2
C2H6
C2H6O
C2H6O
C2H6O2
C2H6S
C2H6S
C2H7N
C2H7N
C2H7NO
C2H8N2
C3H3N
C3H4
C3H4
C3H4O
C3H4O2
C3H4O2
C3H5CL
C3H5CL3
C3H5N
C3H6
C3H6
C3H6CL2
C3H6O
C3H6O
C3H6O
C3H6O
C3H6O
C3H6O2
C3H6O2
C3H6O2
C3H7CL
C3H7CL
C3H8
C3H8O
C3H8O
C3H8O
C3H8O2
C3H8O2
C3H8O2
C3H8O3
C3H8S
C3H9N
C3H9N
C3H9N
C4H2O3
C4H4

NO

101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150

ETHYL CHLORIDE
ETHYL FLUORIDE
ETHYLENE IMIDE
NITROETHANE
ETHANE
DIMETHYL ETHER
ETHANOL
ETHYLENE GLYCOL
ETHYL MERCAPTAN
DIMETHYL SULPHIDE
ETHYL AMINE
DIMETHYL AMIDE
MONOETHANOLAMINE
ETHYLENEDIAMINE
ACRYLONITRILE
PROPADIENE
METHYL ACETYLENE
ACROLEIN
ACRYLIC ACID
VINYL FORMATE
ALLYL CHLORIDE
1;2;3-TRICHLOROPROPANE
PROPIONITRILE
CYCLOPROPANE
PROPYLENE
1;2-DICHLOROPROPANE
ACETONE
ALLYL ALCOHOL
PROPIONALDEHYDE
PROPYLENE OXIDE
VINYL METHYL ETHER
PROPIONIC ACID
ETHYL FORMATE
METHYL ACETATE
PROPYL CHLORIDE
ISOPROPYL CHLORIDE
PROPANE
N-PROPYL ALCOHOL
ISOPROPYL ALCOHOL
METHYL ETHYL ETHER
METHYLAL
1;2-PROPANEDIOL
1;3-PROPANEDIOL
GLYCEROL
METHYL ETHYL SULPHIDE
N-PROPYL AMINE
ISOPROPYL AMINE
TRIMETHYL AMINE
MALEIC ANHYDRIDE
VINYL ACETYLENE

COMPOUND NAME
64.515
48.060
43.069
75.068
30.070
46.069
46.069
62.069
62.134
62.130
45.085
45.085
61.084
60.099
53.064
40.065
40.065
56.064
72.064
72.064
76.526
147.432
55.080
42.081
42.081
112.987
58.080
58.080
58.080
58.080
58.080
74.080
74.080
74.080
78.542
78.452
44.097
60.096
60.096
60.096
76.096
76.096
76.096
92.095
76.157
59.112
59.112
59.112
98.058
52.076

MOLWT

TBP
12.2
 37.8
56.6
114.0
 88.7
 24.9
78.3
197.2
35.0
37.3
16.5
6.8
170.3
117.2
77.3
 34.5
 23.2
52.8
140.8
46.4
45.1
155.8
97.3
 32.8
 47.8
96.3
56.2
96.8
47.8
34.3
4.8
140.8
54.2
56.9
46.4
35.7
 42.1
97.2
82.2
7.3
41.8
187.3
214.4
289.8
66.6
48.6
32.4
2.9
199.6
4.9

TFP
 136.4
 143.3
 78.2
 89.2
 183.3
 141.5
 114.1
 13.0
 147.9
 98.3
 81.2
 92.2
10.3
10.8
 83.7
 136.3
 102.7
 87.2
11.8
 57.7
 134.5
 14.7
 92.7
 127.5
 185.3
 100.5
 95.0
 129.2
 80.2
 112.2
 121.7
 20.7
 79.4
 98.2
 122.8
 117.2
 187.7
 126.3
 88.5
 139.2
 105.2
 60.2
 26.8
17.8
 106.0
 83.2
 95.3
 117.2
52.8
 45.6
48.5
48.8
53.7
63.8
77.0
54.9
55.3
56.2
53.1
44.6
62.8
35.5
54.7
56.2
51.7
56.7
57.8
47.6
39.5
41.8
54.9
46.2
44.6
47.0
57.1
47.6
49.2
47.6
53.7
47.4
46.9
45.8
47.2
42.5
51.7
47.6
44.0
60.8
59.8
66.9
42.6
47.4
50.7
40.7
49.6

595.0
305.4
400.0
516.2
645.0
499.0
503.0
456.0
437.6
614.0
593.0
536.0
393.0
402.4
506.0
615.0
475.0
514.0
651.0
564.4
397.8
365.0
577.0
508.1
545.0
496.0
482.2
436.0
612.0
508.4
506.8
503.0
485.0
369.8
536.7
508.3
437.8
497.0
625.0
658.0
726.0
533.0
497.0
476.0
433.2
455.0

PC
52.7
50.3

TC
460.4
375.3

0.202

0.233
0.229
0.254

20
25
20
 90
20
20
20
20
20
20
20
20
20
20
 35
 50
20
20
20
20
20
20
15
 50
20
20
15
20
20
20
20
16
20
20
20
 42
20
20
20
18
20
20
20
20
20
20
20
60
0

833
1047
548
667
789
1114
839
848
683
656
1016
896
806
658
706
839
1051
963
937
1389
782
563
612
1150
790
855
797
829
750
993
927
934
891
862
582
804
786
700
888
1036
1053
1261
837
717
688
633
1310
710

TDEN

896

LDEN

HVAP

24,493

54,177
56,522
61,127
29,517
29,726
27,214
24,116

32,071
35,994
14,717
21,520
38,770
52,544
26,796
26,963
28,052
26,502
50,242
41,868
32,657
18,631
22,148
28,345
46,055
32,155
27,110
38,435
32,280
20,055
18,422
31,401
29,140
39,984
28,303
27,005
19,050
32,238
30,145
30,145
27,256
26,293
18,786
41,784
39,858
24,702

24,702

NO
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150

APPENDIX C

0.237
0.241
0.255

0.210
0.210
0.234
0.348
0.230
0.170
0.181
0.226
0.209
0.203
0.223
0.186
0.205
0.230
0.229
0.228
0.254
0.230
0.203
0.219
0.220
0.221

0.228
0.148
0.178
0.167
0.186
0.207
0.201
0.178
0.187
0.196
0.206
0.210
0.162
0.164

0.199
0.169

VC

C- 6
PHYSICAL PROPERTY DATA BANK

190.83

95.57
300.88
402.41
206.21
184.24
192.44
367.03
316.41
210.42

217.14
307.15
224.83
210.61
342.88
225.86
131.63
281.03
209.68
307.26
219.33
213.36
180.98
299.32
226.23
224.03
215.00
212.24
133.41
327.83
323.44
171.66
426.74
406.96
406.00

228.46
365.81

320.94

156.60

686.64
1365.00
419.60
267.34
340.54

1984.10
839.76
343.31

388.17
733.02
428.40
368.27
818.63
366.77

273.84
514.36
367.25
793.52
343.44
377.43
318.41
535.04
400.91
408.62
374.77
306.25
222.67
951.04
1139.70
303.82

1404.20
1813.00
3337.10

433.64
952.48

101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150

VISB

VISA

NO

 369.57

 455.44
 371.54
 409.72
 130.21
 146.54
 103.92
 256.57
 272.60
 216.58

306.18

98.98

11.43
39.82

0.632
8.269
8.424
19.527
6.691
 7.486
 8.206
 13.075
6.757

42.119E-02
36.756E-02
44.422E-02
28.906E-02
34.985E-02
41.755E-02
39.716E-02
34.847E-02
28.407E-02

17.811E-02
17.907E-02
21.407E-02
24.832E-02
23.509E-02
18.748E-02
27.516E-02
26.955E-02
30.095E-02
24.070E-02
22.077E-02
19.774E-02
18.644E-02
21.055E-02
31.908E-02
18.388E-02
30.467E-02
36.220E-02
22.454E-02
38.133E-02
23.454E-02
36.547E-02
26.059E-02
31.464E-02
26.142E-02
32.569E-02
23.413E-02
36.890E-02
23.161E-02
22.454E-02
36.258E-02
34.876E-02
30.626E-02
33.252E-02
18.862E-02
26.854E-02

26.063E-02
21.801E-02
30.225E-02

CPVAPB

 2.981E-04
 2.162E-04
 3.159E-04
 1.209E-04
 1.822E-04
 2.826E-04
 2.189E-04
 2.184E-04
 2.265E-04

 6.938E-05
 5.233E-05
 8.390E-05
 1.497E-04
 1.369E-04
 6.875E-05
 1.583E-04
 1.329E-04
 1.818E-04
 4.338E-05
 1.565E-04
 1.182E-04
 1.174E-04
 1.071E-04
 2.352E-04
 3.560E-05
 2.278E-04
 2.787E-04
 1.100E-04
 2.881E-04
 1.160E-04
 2.604E-04
 1.253E-04
 2.032E-04
 1.300E-04
 1.989E-04
 9.697E-05
 2.865E-04
 2.120E-05
 4.342E-05
 2.508E-04
 2.244E-04
 1.586E-04
 1.855E-04
64.058E-06
 1.025E-04

 1.840E-04
 1.166E-04
 2.063E-04

CPVAPC

89.514E-09
50.535E-09
93.784E-09
12.866E-09
35.864E-09
83.485E-09
46.222E-09
48.399E-09
74.609E-09

87.127E-10
 1.918E-09
13.733E-10
30.103E-09
31.619E-09
40.989E-10
38.083E-09
23.392E-09
46.557E-09
 3.948E-08
46.013E-09
27.821E-09
32.243E-09
19.058E-09
69.752E-09
 2.335E-07
72.934E-09
87.881E-09
19.540E-09
90.351E-09
22.048E-09
77.414E-09
20.377E-09
53.214E-09
21.261E-09
48.232E-09
10.622E-09
98.767E-09
 5.359E-08
29.144E-09
74.483E-09
58.615E-09
32.146E-09
42.957E-09
 9.261E-08
89.514E-10

55.475E-09
24.103E-09
56.480E-09

CPVAPD
15.9800
16.0686
16.4227
17.4716
15.6637
16.8467
18.9119
20.2501
16.0077
16.0001
17.0073
16.2653
17.8174
16.4082
15.9253
13.1563
15.6227
15.9057
16.5617
16.6531
15.9772
16.1246
15.9571
15.8599
15.7027
16.0385
16.6513
16.9066
16.2315
15.3227
14.4602
17.3789
16.1611
16.1295
15.9594
16.0384
15.7260
17.5439
18.6929
13.5435
15.8237
20.5324
17.2917
17.2392
15.9765
15.9957
16.3637
16.0499
16.2747
16.0100

ANTA
2332.01
1966.89
2610.44
3848.24
1511.42
2361.44
3803.98
6022.18
2497.23
2511.56
2616.73
2358.77
3988.33
3108.49
2782.21
1054.72
1850.66
2606.53
3319.18
2569.68
2531.92
3417.27
2940.86
1971.04
1807.53
2985.07
2940.46
2928.20
2659.02
2107.58
1980.22
3723.42
2603.30
2601.92
2581.48
2490.48
1872.46
3166.38
3640.20
1161.63
2415.92
6091.95
3888.84
4487.04
2722.95
2551.72
2582.35
2230.51
3765.65
2203.57

ANTB
 36.48
 27.00
 63.15
 31.96
 17.16
 17.10
 41.68
 28.25
 41.77
 42.35
 37.30
 35.15
 86.93
 72.15
 51.15
 77.08
 44.07
 45.15
 80.15
 63.15
 47.15
 69.15
 55.15
 26.65
 26.15
 52.16
 35.93
 85.15
 44.15
 64.87
 25.15
 67.48
 54.15
 56.15
 42.95
 43.15
 25.16
 80.15
 53.54
 112.40
 52.58
 22.46
 123.20
 140.20
 48.37
 49.15
 40.15
 39.15
 82.15
 43.15

ANTC
 73
 103
 25
114
 143
 94
3
91
 49
 47
 58
 55
71
19
 18
 99
 90
 38
42
 33
 43
42
3
 93
 113
15
 32
13
 38
 48
 83
42
 33
 28
 43
 48
 109
12
0
 68
3
84
107
167
 23
 38
 34
 58
79
 73
37
 21
86
 21
 74
8
96
221
57
58
43
37
204
152
112
 16
6
87
177
77
77
197
132
 28
 33
135
77
127
77
67
42
177
87
87
77
67
 24
127
111
37
42
210
252
327
87
77
64
32
243
32

TMN TMX
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150

NO

PHYSICAL PROPERTY DATA BANK

304.80

 424.25
 409.09
 585.31
 59.66
 72.43
 83.82
 23.86

43.63
 97.85
96.21
104.46
62.76
 83.15
 153.15
 71.30
 130.54
 25.79

 0.63
 185.89
50.66
53.34
20.43
 165.80
 217.71
 132.09
 192.17
 92.82

 50.70
 62.55
 23.49
 161.90
 173.50
 117.73

195.44
202.52
194.56
 65.19
 286.25

5.409
17.015
9.014
35.697
14.922
24.304
3.693
 0.172
9.311
38.297
10.693
9.906
14.708
11.970
1.742
27.813
2.529
26.883
15.403
 35.240
3.710
10.450
6.301
 1.105
11.723
 8.457
15.629
5.669
24.673
16.550
 3.345
1.842
 4.224
2.470
32.427
18.669

 32.95
 113.00
 168.39
 304.67
 4.69
6.95
37.30
68.04

185.06
192.26
185.56
 70.92
 336.45

 0.553
4.346
 20.771

 60.04
 209.67
178.11

 111.79
 261.67
123.51
 101.32
 84.74
 184.18
 234.96
 389.58
 46.14
 37.56
 46.05
 18.84
 201.72

CPVAPA

DELGF

DELHF

APPENDIX C

C- 7

FORMULA
C4H4O
C4H4S
C4H5CL
C4H5CL
C4H5N
C4H5N
C4H6
C4H6
C4H6
C4H6
C4H6O2
C4H6O3
C4H6O4
C4H6O4
C4H7N
C4H7O2
C4H8
C4H8
C4H8
C4H8
C4H8
C4H8O
C4H8O
C4H8O
C4H8O
C4H8O
C4H8O2
C4H8O2
C4H8O2
C4H8O2
C4H8O2
C4H8O2
C4H9CL
C4H9CL
C4H9CL
C4H9N
C4H9NO
C4H10
C4H10
C4H10O
C4H10O
C4H10O
C4H10O
C4H10O
C4H10O2
C4H10O3
C4H10S
C4H10S2
C4H11N
C4H11N

NO

151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200

FURAN
THIOPHENE
CHLOROPRENE
CHLOROBUTADIENE
ALLYL CYANIDE
PYRROLE
ETHYLACETYLENE
DIMETHYL ACETYLENE
1;2-BUTADIENE
1;3-BUTADIENE
VINYL ACETATE
ACETIC ANHYDRIDE
DIMETHYL OXALATE
SUCCINIC ACID
BUTYRONITRILE
METHYL ACRYLATE
1-BUTENE
CIS-2-BUTENE
TRANS-2-BUTENE
CYCLOBUTANE
ISOBUTYLENE
N-BUTYRALDEHYDE
ISOBUTYRALDEHYDE
MERTYL ETHYL KETONE
TETRAHYDROFURAN
VINYL ETHYL ETHER
N-BUTYRIC ACID
1;4-DIOXANE
ETHYL ACETATE
ISOBUTYRIC ACID
METHYL PROPIONATE
N-PROPYL FORMATE
1-CHLOROBUTANE
2-CHLOROBUTANE
2-CHLORO-2-METHYL PROPANE
PYRROLIDINE
MORPHOLINE
N-BUTANE
ISOBUTANE
N-BUTANOL
2-BUTANOL
ISOBUTANOL
2-METHYL-2-PROPANOL
ETHYL ETHER
1;2-DIMETHOXYETHANE
DIETHYLENE GLYCOL
DIMETHYL SULPHIDE
DIETHYL DISULPHIDE
N-BUTYL AMINE
ISOBUTYL AMINE

COMPOUND NAME
68.075
84.136
88.537
88.537
67.091
67.091
54.092
54.092
54.092
54.092
86.091
102.089
118.090
118.090
69.107
86.091
56.108
56.108
56.108
56.108
56.108
72.107
72.107
72.107
72.107
72.107
88.107
88.107
88.107
88.107
88.107
88.107
92.569
92.569
92.569
71.123
87.122
58.124
58.124
74.123
74.123
74.123
74.123
74.123
90.123
106.122
90.184
122.244
73.139
73.139

MOLWT
31.3
84.1
59.4
67.8
118.8
129.8
8.0
27.0
10.8
 4.5
72.8
138.8
163.4
234.8
117.8
80.3
 6.3
3.7
0.8
12.5
 6.9
74.8
63.8
79.6
65.9
35.6
163.2
101.3
77.1
154.7
79.8
80.5
78.4
68.2
50.8
86.5
128.2
 0.5
 11.9
117.7
99.5
107.8
82.4
34.5
85.4
245.8
92.1
154.0
77.4
67.4

 85.7
 38.3

582.2
536.0
419.6
435.6
428.6
459.9
417.9
524.0
513.0
535.6
540.2
475.0
628.0
587.0
523.2
609.0
530.6
538.0
542.0
520.6
507.0
568.6
618.0
425.2
408.1
562.9
536.0
547.7
506.2
466.7
536.0
681.0
557.0
642.0
524.0
516.0

490.2
579.4
511.2
527.2
585.0
640.0
463.7
488.6
443.7
425.0
525.0
569.0
628.0

TC

0.285
0.265
0.240
0.234
0.238
0.210
0.239
0.278
0.274
0.267
0.224
0.260
0.292
0.238
0.286
0.292
0.282
0.285
0.312
0.305
0.295
0.249
0.253
0.255
0.263
0.274
0.268
0.273
0.275
0.280
0.271
0.316
0.318
0.288
0.284

41.5
42.6

0.220
0.221
0.219
0.221
0.265
0.290

0.218
0.219
0.266
0.265
0.265

VC

37.9
42.6
37.2
42.0
41.0
49.9
40.0
40.5
41.5
41.5
51.9
40.7
52.7
52.1
38.3
40.5
40.0
40.6
36.9
39.5
39.5
56.1
54.7
38.0
36.5
44.2
41.9
43.0
39.7
36.4
38.7
46.6
39.6

47.1
50.9
45.0
43.3
43.6
46.8
39.8

55.0
56.9
42.5
39.5
39.5

PC

792
956
595
621
604
694
594
802
789
805
889
793
958
1033
901
968
915
911
886
873
842
852
1000
579
557
810
807
802
787
713
867
1116
837
998
739

938
1071
958
963
835
967
650
691
652
621
932
1087
1150

LDEN

20
20
20
20
20
20
20
20
20
20
20
20
20
20
20
20
20
16
20
20
20
22
20
20
20
20
20
20
20
20
20
20
20
20
20

20
16
20
20
20
21
16
20
20
20
20
20
15

TDEN

37,681
22,408
21,311
43,124
40,821
42,077
39,063
26,712
31,443
57,234
31,778
37,723
32,113
30,982

34,415
32,029
21,930
23,362
22,772
24,200
22,131
31,527
31,401
31,234
29,601
26,502
42,035
36,383
32,238
41,156
32,573
32,490
30,019
29,224
27,424

41,240

24,995
26,670
24,283
22,483

27,105
31,485
29,658
29,038
34,332

HVAP
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200

NO

APPENDIX C

 4.8
 138.4
 159.6
 89.3
 114.7
 108.0
25.6
 116.3
 71.2
 8.2
 104.0
 101.5
 49.1
 85.2

 125.8
 32.3
 136.2
 108.9
 100.2
 74.2
53.8
182.8
 112.2
 76.5
 185.4
 138.9
 105.6
 90.8
 140.4
 96.4
 65.0
 86.7
 108.5
 115.3
 5.3
11.8
 83.6
 46.0
 87.5
 92.9
 123.1
 131.4
 25.4

 60.0
 86.5

TBP

TFP

C- 8
PHYSICAL PROPERTY DATA BANK

222.70
264.90

151 389.40
152 498.60
153
154
155 521.30
156
157
158
159
160 300.59
161 457.89
162 502.33
163
164
0.00
165 438.04
166 451.02
167 256.30
168 268.94
169 259.01
170
171
172 472.31
173 464.06
174 423.84
175 419.79
176 349.95
177 640.42
178 660.36
179 427.38
180 588.65
181 442.88
182 452.97
183 783.72
184 480.77
185 543.41
186
187 914.14
188 265.84
189 302.51
190 984.54
191 1441.70
192 1199.10
193 972.10
194 353.14
195
196 1943.00
197 407.59
198
199 472.06
200
 17.17
20.89
 150.89
 167.72
 167.43
 177.77
 122.42

17.79
22.27
49.24

 571.50
 83.53
 74.69
 92.11

 38.81
 53.51
 64.14
114.76

 126.23
 134.61
 274.86
 292.82
 283.40
 312.63
 252.38

 147.38
 161.61
 183.38
 3.60

71.34
65.90
63.01
110.11
58.11
 114.84
 121.42
 146.16

 0.13
 6.99
 11.18
26.67
 16.91
 205.15
 215.87
 238.52
 184.34
 140.26
 476.16
 315.27
 443.21
 484.25
 180.91
 327.62

108.73

34.08

 477.00

202.22
185.56
198.58
150.77

0.88
126.86

 34.71
115.81
65.86
79.97
108.35
165.29
146.41
162.32
110.24
 316.10
 576.10

DELGF

DELHF

 2.613
 3.433
 3.931
 51.531
 42.802
9.487
 1.390
3.266
5.753
 7.708
 48.613
21.424
32.234
73.060
13.595
26.896
5.079
9.491

15.211
15.165
 2.994
0.440
18.317
 50.254
16.052
14.080
24.463
10.944
 19.104
17.279
11.740
 53.574
7.235
9.814
18.204

12.548
15.927
11.200
 1.687
15.160
 23.128

21.700

 35.529
 30.606

CPVAPA

44.966E-02
45.594E-02
46.515E-02
53.382E-02
53.884E-02
33.130E-02
38.473E-02
41.801E-02
42.454E-02
46.892E-02
71.720E-02
33.587E-02
35.672E-02
34.441E-02
39.595E-02
46.013E-02
44.757E-02
44.296E-02

 2.937E-04
 2.981E-04
 2.886E-04
 3.240E-04
 2.666E-04
 1.108E-04
 1.846E-04
 2.242E-04
 2.328E-04
 2.884E-04
 7.084E-04
 1.035E-04
 1.336E-04
 1.468E-04
 1.780E-04
 2.710E-04
 2.407E-04
 2.110E-04

46.892E-03
 1.638E-04
 8.805E-05
 1.982E-04
 1.018E-04
 7.013E-05
 3.558E-04
 1.091E-04
 1.723E-04
 2.057E-04
 1.900E-04
 4.132E-04
 1.471E-04
 2.430E-04
 4.085E-04
 2.092E-04
 3.720E-04
 9.353E-05

15.072E 00
32.058E-02
27.959E-02
35.320E-02
29.534E-02
25.636E-02
50.242E-02
28.043E-02
34.570E-02
33.557E-02
35.592E-02
51.623E-02
32.360E-02
41.370E-02
59.871E-02
40.717E-02
46.683E-02
31.397E-02
80.805E-09
82.564E-09
78.712E-09
75.279E-09
41.994E-09
 2.822E-09
28.952E-09
46.850E-09
47.730E-09
72.306E-09
29.199E-08
 9.357E-09
83.987E-10
18.464E-09
26.490E-09
59.704E-09
75.990E-09
23.329E-09

 3.143E-04
29.823E-09
 1.660E-08
44.631E-09
 6.155E-10
 8.989E-09
10.471E-08
90.979E-10
28.872E-09
63.681E-09
39.197E-09
14.541E-08
21.495E-09
55.308E-09
10.622E-08
28.546E-09
13.502E-08
 1.828E-08

34.499E-09
17.534E-09
30.890E-09
63.346E-09
 1.660E-08
98.348E-09

12.292E-09

 1.192E-04
 1.545E-04
 1.070E-04
 1.468E-04
 2.340E-04
 8.805E-05
 3.580E-04

10.743E-08
12.527E-08

CPVAPD

 3.455E-04
 3.772E-04

CPVAPC

27.436E-02
23.815E-02
27.235E-02
34.185E-02
27.951E-02
50.870E-02

25.715E-02

43.208E-02
44.799E-02

CPVAPB

16.2092
16.1088
15.7564
15.8171
15.8177
15.9254
15.7528
16.1668
15.9888
16.5986
16.1069
15.8911
17.9240
16.1327
16.1516
16.7792
16.1693
15.7671
15.9750
15.9907
15.8121
15.9444
16.2364
15.6782
15.5381
17.2160
17.2102
16.8712
16.8548
16.0828
16.0241
17.0326
15.9531
16.0607
16.6085
16.1419

16.0019
16.7966
16.0605
16.2821
16.1039
15.7727
16.1003
16.3982

16.0612
16.0243
14.4844

ANTA

3202.21
2788.43
2132.42
2210.71
2212.32
2359.09
2125.75
2839.09
2676.98
3150.42
2768.38
2449.26
4130.93
2966.88
2790.50
3385.49
2804.06
2593.95
2826.26
2753.43
2567.15
2717.03
3171.35
2154.90
2032.73
3137.02
3026.03
2874.73
2658.29
2511.29
2869.79
4122.52
2896.27
3421.57
3012.70
2704.16

3128.75
3457.47
2271.42
2536.78
2397.26
2142.66
2744.68
3287.56

244.70
2869.07
1938.59

ANTB

 56.16
 59.15
 33.15
 36.15
 33.15
 31.78
 33.15
 50.15
 51.15
 36.65
 46.90
 44.15
 70.55
 62.15
 57.15
 94.15
 58.92
 69.69
 49.05
 47.15
 44.15
 67.90
 71.15
 34.42
 33.15
 94.43
 86.65
 100.30
 95.50
 41.95
 53.15
 122.50
 54.49
 64.19
 48.96
 56.15

 58.15
 62.73
 40.30
 37.34
 30.88
 34.30
 56.15
 75.11

 45.41
 51.80
 85.36

ANTC

34
 13
 83
 73
 73
 73
 83
 18
 26
 16
3
 48
62
2
 13
57
 13
7
 18
 23
 38
27
27
 78
 86
15
25
20
20
 48
 11
129
 13
39
 14
 22

127
57
 73
 33
 28
 58
 18
35

 35
 13
27

160
117
22
32
27
17
17
107
97
103
97
67
197
137
112
192
112
87
112
102
87
127
167
17
7
131
120
115
103
67
120
287
117
182
100
100

157
167
27
47
32
17
106
164

90
107
84

TMN TMX
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200

NO

PHYSICAL PROPERTY DATA BANK

243.98

385.24
233.32

332.75
160.20
170.20
341.12
331.50
343.85
363.38
190.58

233.42
253.64
231.67
244.46
189.02
321.13
308.77
235.98
311.24
238.39
246.09
260.03
237.30
253.35

256.84
245.30
151.86
155.34
153.30

163.12
235.35
286.04

252.03

VISB

VISA

NO

APPENDIX C

C- 9

FORMULA
C4H11N
C4H12SI
C5H4O2
C5H5N
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8O
C5H8O2
C5H10
C5H10
C5H10
C5H10
C5H10
C5H10
C5H10
C5H10O
C5H10O
C5H10O
C5H10O
C5H10O2
C5H10O2
C5H10O2
C5H10O2
C5H10O2
C5H10O2
C5H11N
C5H12
C5H12
C5H12
C5H12O
C5H12O
C5H12O
C5H12O
C5H12O
C5H12O
C5H12O
C5H12O
C6F6
C6F12
C6F14
C6H3CL3
C6H4CL2
C6H4CL2
C6H4CL2
C6H5BR

NO

201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250

DIETHYL AMINE
TETRAMETHYLSILANE
FURFURAL
PYRIDINE
CYCLOPENTENE
1;2-PENTADIENE
1-TRANS-3-PENTADIENE
1;4-PENTADIENE
1-PENTYNE
2-METHYL-1;3-BUTADIENE
3-METHYL-1;2-BUTADIENE
CYCLOPENTONE
ETHYL ACRYLATE
CYCLOPENTANE
1-PENTENE
CIS-2-PENTENE
TRANS-2-PENTENE
2-METHYL-1-BUTENE
2-METHYL-2-BUTENE
3-METHYL-1-BUTENE
VALERALDEHYDE
METHYL N-PROPYL KETONE
METHYL ISOPROPYL KETONE
DIETHYL KETONE
N-VALERIC ACID
ISOBUTYL FORMATE
N-PROPYL ACETATE
ETHYL PROPIONATE
METHYL BUTYRATE
METHYL ISOBUTYRATE
PIPERIDINE
N-PENTANE
2-METHYL BUTANE
2;2-DIMETHYL PROPANE
1-PENTANOL
2-METHYL-1-BUTANOL
3-METHYL-1-BUTANOL
2-METHYL-2-BUTANOL
2;2-DIMETHYL-1-PROPANOL
ETHYL PROPYL ETHER
METHYL-T-BUTYL ETHER
BUTYLMETHYL ETHER
PERFLUOROBENZENE
PERFLUOROCYCLOHEXANE
PERFLUORO-N-HEXANE
1;2;4-TRICHLOROBENZENE
O-DICHLOROBENZENE
M-DICHLOROBENZENE
P-DICHLOROBENZENE
BROMOBENZENE

COMPOUND NAME
73.139
88.225
96.085
79.102
68.119
68.119
68.119
68.119
68.119
68.119
68.119
84.118
100.118
70.135
70.135
70.135
70.135
70.135
70.135
70.135
86.134
86.134
86.134
86.134
102.134
102.134
102.134
102.134
102.134
102.134
85.150
72.151
72.151
72.151
88.150
88.150
88.150
88.150
88.150
88.150
88.150
88.150
186.056
300.047
338.044
181.449
147.004
147.004
147.004
157.010

MOLWT
55.4
27.6
161.7
115.3
44.2
44.8
42.0
25.9
40.1
34.0
40.8
130.7
99.8
49.2
29.9
36.9
36.3
31.1
38.5
20.1
102.8
102.3
94.2
101.9
185.5
98.4
101.6
98.8
102.6
92.2
106.5
36.0
27.8
9.4
137.8
128.7
131.2
102.0
113.1
63.6
55.1
70.1
80.2
52.5
57.1
213.0
180.4
172.8
174.1
156.0

 49.8
 102.2
 31.0
 41.7
 135.1
 137.3
 87.5
 148.3
 105.7
 146.0
 113.7
 50.7
 72.2
 93.9
 165.3
 151.4
 140.3
 137.6
 133.8
 168.5
 91.2
 77.2
 92.2
 39.0
 34.2
 95.2
 95.2
 73.9
 84.8
 87.8
 10.5
 129.8
 159.3
 16.6
 78.2
 70.2
 117.2
 8.8
53.8
 126.8
 108.2
 115.5
496.6
448.6
657.1
620.0
506.0
503.0
496.0
478.0
493.4
484.0
496.0
626.0
552.0
511.6
464.7
476.0
475.0
465.0
470.0
450.0
554.0
564.0
553.4
561.0
651.0
551.0
549.4
546.0
554.4
540.8
594.0
469.6
460.4
433.8
586.0
571.0
579.5
545.0
549.0
500.6
407.1
512.8
516.7
457.2
451.7
734.9
697.3
684.0
685.0
670.0

TC

0.276
0.275
0.276
0.278
0.276
0.267
0.268
0.320
0.260
0.300
0.300
0.300
0.294
0.318
0.300
0.333
0.301
0.310
0.336
0.340
0.350
0.345
0.345
0.340
0.339
0.289
0.304
0.306
0.303
0.326
0.322
0.329
0.319
0.319

40.7
39.9
37.9
40.5
38.5
41.1
53.7
37.5
45.1
40.5
36.5
36.6
34.5
34.5
35.2
35.5
38.9
38.5
37.4
38.5
38.8
33.3
33.6
34.8
34.3
47.6
33.7
33.8
32.0
38.5
38.5
38.5
39.5
39.5
32.5
34.3
34.3
33.0
24.3
19.0
39.8
41.0
38.5
39.5
45.2
0.442
0.401
0.360
0.359
0.372
0.324

0.339
0.329

0.301
0.362
0.270
0.254

VC

37.1
28.2
49.2
56.3

PC

1306
1288
1248
1495

707
646
1156
983
772
693
676
661
690
681
686
950
921
745
640
656
649
650
662
627
810
806
803
814
939
885
887
895
898
891
862
626
620
591
815
819
810
809
783
733
741

LDEN

20
20
55
20

20
20
25
20
20
20
20
20
20
20
20
20
20
20
20
20
20
20
20
20
20
20
20
20
20
20
20
16
20
20
20
20
20
20
20
20
20
20
54
20
20

TDEN

39,691
38,644
38,812

26,084
27,256
36,593
33,285
27,315
25,213
26,126
26,084
25,514
26,322
24,116
33,662
33,494
30,647
33,746
49,823
34,206
34,206
34,248
34,101
33,386
34,248
25,791
24,702
22,768
44,380
45,217
44,129
40,612
43,124
30,522
27,646

35,169
27,005
27,591
27,047
25,163

27,842
24,685

HVAP
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250

NO

APPENDIX C

 87.2
16.8
 17.1
 24.8
53.1
 30.9

TBP

TFP

C- 10
PHYSICAL PROPERTY DATA BANK

229.29

291.58
218.66

182.48
303.44
256.84
231.67
174.70
175.72
176.62
193.39
180.43
252.03
243.03
236.65
341.13
255.83
248.72
254.66
246.09
313.49
182.48
191.58
196.35
349.62
349.85
349.51
336.75
213.39

319.07
300.89
312.03
302.42

473.89

618.50
396.83

328.49

574.71
438.08
406.69
305.25
305.31
349.33
369.27
322.47

521.30
437.94

409.17
729.09

489.53
463.31
479.35
451.21
772.79
313.66
367.32
355.54
1151.10
1259.40
1148.80
1502.00

399.87

554.35
402.20
483.82
508.18

201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250

VISB

VISA

NO

 323.72

 466.03
 470.18

82.73
78.63
77.20
138.62

 879.98

 957.27

52.670E-02

60.876E-02
55.056E-02
54.931E-02
55.349E-02
53.507E-02

 14.361
 14.302
 13.590
 14.344
 28.805

51.372E-02

36.283

2.533

62.886E-02
48.734E-02
50.660E-02
55.517E-02
50.451E-02
56.773E-02
56.815E-02
60.960E-02
53.968E-02

28.198E-02
49.279E-02
46.306E-02
38.799E-02
28.110E-02
39.515E-02
35.035E-02
45.845E-02
35.977E-02
52.251E-02
36.898E-01
54.261E-02
43.292E-02
46.013E-02
41.818E-02
39.971E-02
35.090E-02
38.895E-02
43.292E-02
48.023E-02
49.907E-02
39.394E-02
50.325E-02
40.336E-02
45.008E-02
40.344E-02

18.196
39.791
 41.512
8.826
30.689
6.996
18.066
 34.122
14.687
 40.641
16.810
 53.625
 0.134
 13.151
1.947
10.572
11.803
21.742
14.239
1.147
 2.914
30.011
13.389
19.850
15.420
19.854
 53.068
 3.626
 9.525
 16.592
3.869
 9.483
 9.542
 12.087
12.154

44.296E-02

CPVAPB

2.039

CPVAPA

 5.623E-04
 4.513E-04
 4.505E-04
 4.559E-04
 4.080E-04

 4.547E-04

 2.596E-04

20.725E-08
14.294E-08
14.269E-08
14.478E-08
12.117E-08

14.558E-08

43.040E-09

64.267E-09
53.047E-09
57.234E-09
76.325E-09
51.205E-09
86.374E-09
86.499E-09
12.284E-08
71.217E-09

 5.476E-08
10.044E-08
54.345E-09
52.461E-09
 2.352E-08
55.978E-09
40.976E-09
10.002E-08
42.622E-09
71.301E-09
 5.732E-09
64.854E-09
46.808E-09
54.554E-09
44.045E-09
33.139E-09
 5.807E-09
40.105E-09
31.623E-09
66.612E-09
66.654E-09
33.976E-09
66.193E-09
 7.402E-09
 1.439E-08
 7.402E-09

 6.523E-05
 3.558E-04
 2.579E-04
 2.280E-04
 6.711E-05
 2.374E-04
 1.913E-04
 3.337E-04
 1.976E-04
 3.035E-04
 1.382E-04
 3.031E-04
 2.317E-04
 2.541E-04
 2.178E-04
 1.946E-04
 1.117E-04
 2.007E-04
 2.107E-04
 2.818E-04
 2.935E-04
 1.907E-04
 2.931E-04
 1.436E-04
 1.686E-04
 1.437E-04
 3.358E-04
 2.580E-04
 2.729E-04
 3.306E-04
 2.639E-04
 3.481E-04
 3.485E-04
 4.204E-04
 3.160E-04

36.530E-09

CPVAPD

 2.183E-04

CPVAPC

16.1004
15.8333
15.6338
15.2069
16.5270
16.2708
16.7127
15.0113
18.1336
15.3549
16.4174
15.8830
16.1940
13.9087
15.8307
16.8979
16.2799
16.8173
16.1135
15.7972

16.0545
16.0999
18.7949
16.0910
15.9356
15.9297
15.9182
15.7392
16.0429
15.8548
15.9880
16.0897
16.0890
15.8574
15.7646
15.8251
15.9011
15.8260
15.9238
15.7179
16.1623
16.0031
14.1779
16.8138
17.6306
16.2292
16.2291
16.1620

ANTA

3015.46
2477.07
2348.67
2034.15
3026.89
2752.19
3026.43
1988.08
3694.96
2423.41
2913.70
2666.26
2827.53
1374.07
2488.59
4452.50
3798.23
4104.13
3626.83
3313.00

2595.01
2570.24
5365.88
3095.13
2583.07
2544.34
2541.69
2344.02
2515.62
2467.40
2541.83
3193.92
2974.94
2588.48
2405.96
2459.05
2495.97
2426.42
2521.53
2333.61
3030.20
2934.87
1993.12
3410.51
4092.15
2980.47
2980.47
2935.11

ANTB

 61.15
 39.94
 40.05
 45.37
 105.00
 116.30
 104.10
 137.80
 65.00
 62.28
 30.63
 53.70
 57.66
 136.80
 59.73
 53.00
 59.84
 43.15
 64.64
 67.71

 53.15
 28.73
5.40
 61.15
 39.70
 44.30
 41.43
 41.69
 45.97
 39.64
 42.26
 66.15
 58.15
 41.79
 39.63
 42.56
 40.18
 40.36
 40.31
 36.33
 58.15
 62.25
 103.20
 40.15
 86.55
 64.15
 64.15
 64.16

ANTC

7
 53
 57
 13
37
34
25
25
55
 27
 88
69
3
7
3
127
58
53
54
47

 31
27
77
12
 29
 23
 23
 33
 43
 23
 23
27
1
 43
 53
 53
 53
 53
 47
 63
 46
2
2
2
77
5
7
3

TMN

143
57
49
32
138
129
153
102
133
87
88
23
117
127
57
327
210
202
204
177

77
 84
277
152
105
67
67
47
62
57
62
167
136
72
52
57
57
52
62
42
139
137
133
127
222
136
137
123

TMX
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250

NO

PHYSICAL PROPERTY DATA BANK

29.98
26.46
23.03
105.09

 125.52

 292.99

 165.38
 125.52

 8.37
 14.82
 15.24
 146.12
 165.71

135.36
 357.43

 258.83
 490.69

 49.03
 146.54
 154.58
 166.09
 298.94
 302.71
 302.29
 329.92
 293.08

38.64
79.17
71.89
69.96
65.65
59.70
74.82
 108.35
 137.16

 77.29
 20.93
 28.09
 31.78
 36.34
 42.58
 28.97
 227.97
 258.83

190.33
110.66
210.55
146.83
170.36
210.39
145.95
198.75

72.14

 72.43
 232.41
140.26
32.95
145.70
77.87
105.51
144.44
75.78
129.79
 192.76

DELGF

DELHF

APPENDIX C

C - 11

FORMULA
C6H5CL
C6H5F
C6H5I
C6H5NO2
C6H6
C6H6O
C6H7N
C6H7N
C6H10
C6H10
C6H10O
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12O
C6H12O
C6H12O2
C6H12O2
C6H12O2
C6H12O2
C6H12O2
C6H14
C6H14
C6H14
C6H14
C6H14
C6H14O
C6H14O
C6H14O
C6H15N
C6H15N
C7F14
C7F16
C7H5N
C7H6O
C7H6O2
C7H7NO2
C7H7NO2

NO

251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300

CHLOROBENZENE
FLUOROBENZENE
IODOBENZENE
NITROBENZENE
BENZENE
PHENOL
ANILINE
4-METHYL PYRIDINE
1;5-HEXADIENE
CYCLOHEXENE
CYCLOHEXANONE
CYCLOHEXANE
METHYLCYCLOPENTANE
1-HEXENE
CIS-2-HEXENE
TRANS-2-HEXENE
CIS-3-HEXENE
TRANS-3-HEXENE
2-METHYL-2-PENTENE
3-METHYL-CIS-2-PENTENE
3-METHYL-TRANS-2-PENTENE
4-METHYL-CIS-2-PENTENE
4-METHYL-TRANS-2-PENTENE
2;3-DIMETHYL-1-BUTENE
2;3-DIMETHYL-2-BUTENE
3;3-DIMETHYL-1-BUTENE
CYCLOHEXANOL
METHYL ISOBUTYL KETONE
N-BUTYL ACETATE
ISOBUTYL ACETATE
ETHYL BUTYRATE
ETHYL ISOBUTYRATE
N-PROPYL PROPIONATE
N-HEXANE
2-METHYL PENTANE
3-METHYL PENTANE
2;2-DIMETHYL BUTANE
2;3-DIMETHYL BUTANE
1-HEXANOL
ETHYL BUTYL ETHER
DIISOPROPYL ETHER
DIPROPYLAMINE
TRIETHYLAMINE
PERFLUOROMETHYLCYCLOHEXANE
PERFLUORO-N-HEPTANE
BENZONITRILE
BENZALDEHYDE
BENZOIC ACID
O-NITROTOLUENE
M-NITROTOLUENE

COMPOUND NAME
112.559
96.104
204.011
123.112
78.114
94.113
93.129
93.129
82.146
82.146
98.145
84.162
84.162
84.162
84.162
84.162
84.162
84.162
84.162
84.162
84.162
84.162
84.162
84.162
84.162
84.162
100.161
100.161
116.160
116.160
116.160
116.160
116.160
86.178
86.178
86.178
86.178
86.178
102.177
102.177
102.177
101.193
101.193
350.055
388.051
103.124
106.124
122.124
137.139
137.139

MOLWT
131.7
85.3
188.2
210.6
80.1
181.8
184.3
145.3
59.4
82.9
155.6
80.7
71.8
63.4
68.8
67.8
66.4
67.1
67.3
67.7
70.4
56.4
58.5
55.6
73.2
41.2
161.1
116.4
126.0
116.8
120.8
111.0
122.5
68.7
60.2
63.2
49.7
58.0
157.0
92.2
68.3
109.2
89.5
76.3
82.5
190.8
178.8
249.8
222.1
233.1

 45.6
 39.2
 31.4
4.8
5.5
40.8
 6.2
3.7
 141.2
 103.5
 31.2
6.5
 142.5
 139.9
 141.2
 133.2
 137.9
 113.5
 135.1
 134.9
 138.5
 134.2
 141.2
 157.3
 74.3
 115.2
24.8
 84.2
 73.5
 98.9
 93.2
 88.2
 75.9
 95.4
 153.7
 118.2
 99.9
 128.6
 44.0
 103.2
 85.5
 63.2
 114.8

TC
632.4
560.1
721.0
712.0
562.1
694.2
699.0
646.0
507.0
560.4
629.0
553.4
532.7
504.0
518.0
516.0
517.0
519.9
518.0
518.0
521.0
490.0
493.0
501.0
524.0
490.0
625.0
571.0
579.0
561.0
566.0
553.0
578.0
507.4
497.5
504.4
488.7
499.9
610.0
531.0
500.0
550.0
535.0
486.8
474.8
699.4
695.0
752.0
720.0
725.0
0.341
0.371
0.371

0.664

0.370
0.367
0.367
0.359
0.358
0.381
0.390
0.386
0.407
0.390

29.7
30.1
31.2
30.8
31.3
40.5
30.4
28.8
31.4
30.4
23.3
16.2
42.2
46.6
45.6
34.0
30.5

VC
0.308
0.271
0.351
0.337
0.259
0.229
0.270
0.311
0.328
0.292
0.312
0.308
0.319
0.350
0.351
0.351
0.350
0.350
0.351
0.351
0.350
0.360
0.360
0.343
0.351
0.340
0.327
0.371
0.400
0.414
0.395
0.410

45.2
45.5
45.2
35.0
48.9
61.3
53.1
44.6
34.5
43.5
38.5
40.7
37.9
31.7
32.8
32.7
32.8
32.5
32.8
32.8
32.9
30.4
30.4
32.4
33.6
32.5
37.5
32.7
31.4
30.4
31.4
30.4

PC

1733
1010
1045
1075
1167
1158

1106
1024
1855
1203
885
1059
1022
955
692
816
951
779
754
673
687
678
680
677
691
694
698
669
669
678
708
653
942
801
898
875
879
869
881
659
653
664
649
662
819
749
724
738
728

LDEN

20
15
20
130
20
20

20
20
4
20
16
40
20
20
20
16
15
20
16
20
20
20
20
20
16
20
20
20
20
20
20
20
30
20
0
20
20
20
20
20
20
20
20
20
20
20
20
20
20

TDEN

HVAP

42,705
50,660
45,487
46,090

39,523
44,031
30,781
45,636
41,868
37,472
27,470
30,480
39,775
29,977
29,098
28,303
29,140
28,931
28,721
28,973
29,015
28,847
29,308
27,591
27,968
27,424
29,655
25,665
45,511
35,588
36,006
35,873
34,332
35,023
36,383
28,872
27,800
28,093
26,322
27,298
48,567
31,820
29,349
37,011
31,401

36,572

NO
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300

APPENDIX C

 78.2
 13.2
 57.2
122.4
 9.2
16.0

TBP

TFP

C- 12
PHYSICAL PROPERTY DATA BANK

276.22
252.89
331.21
265.34
370.07
357.21
285.50
264.54
336.47
290.84
243.24
197.74
197.95
197.95
197.95
197.95

259.03
272.30
270.49
264.22

207.09
208.27
207.55
226.67
228.86
354.94
234.68
219.67
257.39
214.48

314.66
407.88

477.76
452.06
565.72

545.64
1405.50
1074.60
500.97

506.92
787.38
653.62
440.52
357.43
344.33
344.33
344.33
344.33

473.65
537.58
533.99
489.95

362.79
384.13
372.11
438.44
444.19
1179.40
443.32
410.58
561.11
355.52

686.84
2617.60

251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300

VISB

VISA

NO

 121.96
110.36

 319.03
 99.65
 2898.10
 3386.70
218.97
 36.80
 290.40
 265.86
 265.86
 3089.31
261.05
22.40
 210.55

 0.25
 5.02
 2.14
 9.63
 4.10
 135.65

106.93
 90.81
31.78
35.80
87.50
76.28
76.49
83.07
77.67
71.26
73.27
71.34
82.19
79.67
79.09
75.91
98.22
 117.98

129.75
 32.91
166.80

99.23
 69.08
187.90

DELGF

 167.30
 174.42
 171.74
 185.68
 177.90
 317.78

51.87
 116.64
162.66
 67.49
82.98
 96.67
86.92
102.28
83.74
 5.36
 230.27
 123.22
 105.93
 41.70
 52.38
 53.93
 47.65
 54.47
 59.79
 57.78
 58.70
 50.37
 54.39
 55.77
 59.24
 43.17
 294.75
 284.03
 486.76
 495.47

DELHF

47.436E-02
59.829E-02
63.849E-02
48.818E-02
72.515E-02
55.391E-02
61.127E-02
63.807E-02
53.089E-02
53.089E-02
69.292E-02
58.113E-02
55.098E-02
56.689E-02
56.689E-02
56.689E-02
53.759E-02
51.540E-02
55.852E-02
48.274E-02
54.847E-02
72.139E-02
56.564E-02
54.889E-02
57.401E-02
49.279E-02

 33.917
 35.843
 40.516
 17.430
 68.651
 37.807
 54.541
 50.108
 1.746
 9.810
 32.925
 21.729
 4.338
 14.750
 14.750
 14.750
 1.675
12.627
7.025
2.294
 12.556
 55.534
3.894
13.620
7.310
21.508

 26.004
 12.142
 51.292

57.317E-02
49.614E-02
62.928E-02

58.197E-02
61.839E-02
56.899E-02
62.928E-02
61.504E-02
58.908E-02
53.675E-02
58.490E-02
62.928E-02
71.552E-02

56.312E-02
56.689E-02
55.643E-02

 33.888
 38.728
 29.274

 4.413
 10.567
 2.386
 16.634
 14.608
4.811
23.626
7.503
6.460
 18.430

CPVAPB

CPVAPA

 4.430E-04
 2.845E-04
 4.237E-04

 3.119E-04
 3.573E-04
 2.870E-04
 3.481E-04
 3.376E-04
 3.010E-04
 2.528E-04
 3.027E-04
 3.390E-04
 4.392E-04

 5.414E-04
 1.953E-04
 2.523E-04
 3.642E-04
 2.903E-04
 2.717E-04
 5.619E-04
 3.362E-04
 3.282E-04
 3.341E-04
 3.341E-04
 3.341E-04
 3.044E-04
 3.007E-04
 3.696E-04
 2.199E-04
 2.915E-04
 4.086E-04
 3.318E-04
 2.278E-04
 2.576E-04
 1.938E-04

 3.017E-04
 4.827E-04
 5.133E-04
 2.798E-04

 4.522E-04
 4.434E-04
 4.509E-04

CPVAPC

13.490E-08
51.665E-09
10.622E-08

64.937E-09
80.847E-09
50.325E-09
68.496E-09
68.203E-09
54.261E-09
41.567E-09
58.448E-09
70.715E-09
10.923E-08

16.442E-08
 1.534E-08
13.214E-09
80.135E-09
60.541E-09
48.274E-09
20.046E-08
74.567E-09
80.470E-09
79.633E-09
79.633E-09
79.633E-09
67.533E-09
73.269E-09
10.630E-08
30.417E-09
52.084E-09
82.354E-09
82.312E-09
 7.913E-10
11.011E-09
35.588E-10

71.301E-09
15.269E-08
16.333E-08
54.512E-09

14.264E-08
13.553E-08
14.432E-08

CPVAPD

3748.62
4190.70
2603.49

3558.18
2697.55
2614.38
2653.43
2489.50
2595.44
4055.45
2921.52
2895.73
3259.08
2882.38
2610.57
2719.68

16.8641
15.8366
15.7476
15.7701
15.5536
15.6802
18.0994
16.0477
16.3417
16.5939
15.8853
15.7130
15.9747
16.3501
17.1634
14.2028

2893.66
3151.09
3092.83
3127.60

2766.63
2731.00
2654.81
2897.97
2701.72
2680.52
2718.68
2725.89
2731.79
2750.50
2580.52
2631.57
2612.69
2798.63
2326.80

15.7527
15.8023
15.8089
16.2057
15.8727
15.8384
15.9288
15.9423
15.9124
15.9484
15.7527
15.8425
15.8012
16.0043
15.3755
15.7165
16.1836
16.1714
15.9987

3295.12
3181.78
3776.53
4032.66
2788.51
3490.89
3857.52
3409.40
2728.54
2813.53

ANTB

16.0676
16.5487
16.1454
16.1484
15.9008
16.4279
16.6748
16.2143
16.1351
15.8243

ANTA

12
22
16
15
19
 28
 33
 33
 43
 38
35
8
 24
29
 13
17
3

 70.75
 69.15
 66.15
 60.15
 47.86
 48.78
 46.58
 46.02
 43.81
 44.25
 76.49
 55.15
 43.15
 55.15
 51.15
 61.93
 64.50

27
132
222

7
 23
 33
 28
 28
 28
 28
 28
 25
 23
 35
 33
 38
 23
 48

 50.50
 47.11
 47.30
 39.30
 48.62
 48.40
 47.77
 47.64
 46.76
 48.33
 46.56
 46.00
 43.78
 47.71
 48.24

187
287
129

147
97
97
92
77
81
157
127
91
149
127
112
117

152
162
154
159

107
102
87
97
92
92
92
97
91
93
79
81
87
102
67

147
97
197
211
104
208
227
187
77
87

251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300

NO

PHYSICAL PROPERTY DATA BANK

 66.12
 125.20
 151.52

47
 23
17
44
7
72
67
27
9
27

TMN TMX

 55.60
 37.59
 64.38
 71.81
 52.36
 98.59
 73.15
 62.65
 45.45
 49.98

ANTC

APPENDIX C

C - 13

FORMULA
C7H7NO2
C7H8
C7H8O
C7H8O
C7H8O
C7H8O
C7H8O
C7H9N
C7H9N
C7H9N
C7H9N
C7H9N
C7H9N
C7H9N
C7H9N
C7H14
C7H14
C7H14
C7H14
C7H14
C7H14
C7H14
C7H14
C7H16
C7H16
C7H16
C7H16
C7H16
C7H16
C7H16
C7H16
C7H16
C7H16O
C8H4O3
C8H8
C8H8O
C8H8O2
C8H10
C8H10
C8H10
C8H10
C8H10O
C8H10O
C8H10O
C8H10O
C8H10O
C8H10O
C8H10O
C8H10O
C8H10O

NO

301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350

P-NITROTOLUENE
TOLUENE
METHYL PHENYL ETHER
BENZYL ALCOHOL
O-CRESOL
M-CRESOL
P-CRESOL
2;3-DIMETHYLPYRIDINE
2;5-DIMETHYLPYRIDINE
3;4-DIMETHYLPYRIDINE
3;5-DIMETHYLPYRIDINE
METHYLPHENYLAMINE
O-TOLUIDINE
M-TOLUIDINE
P-TOLUIDINE
CYCLOHEPTANE
1;1-DIMETHYLCYCLOPENTANE
CIS-1;2-DIMETHYLCYCLOPENTANE
TRANS-1;2-DIMETHYLCYCLOPENTANE
ETHYLCYCLOPENTANE
METHYLCYCLOHEXANE
1-HEPTENE
2;3;3-TRIMETHYL-1-BUTENE
N-HEPTANE
2-METHYLHEXANE
3-METHYLHEXANE
2;2-DIMETHYLPENTANE
2;3-DIMETHYLPENTANE
2;4-DIMETHYLPENTANE
3;3-DIMETHYLPENTANE
3-ETHYLPENTANE
2;2;3-TRIMETHYLBUTANE
1-HEPTANOL
PHTHALIC ANHYDRIDE
STYRENE
METHYL PHENYL KETONE
METHYL BENZOATE
O-XYLENE
M-XYLENE
P-XYLENE
ETHYL BENZENE
O-ETHYLPHENOL
M-ETHYLPHENOL
P-ETHYLPHENOL
ETHYL PHENYL ETHER
2;3-XYLENOL
2;4-XYLENOL
2;5-XYLENOL
2;6-XYLENOL
3;4-XYLENOL

COMPOUND NAME
137.139
92.141
108.140
108.140
108.140
108.140
108.140
107.156
107.156
107.156
107.156
107.156
107.156
107.156
107.156
98.189
98.189
98.189
98.189
98.189
98.189
98.189
98.189
100.205
100.205
100.205
100.205
100.205
100.205
100.205
100.205
100.205
116.204
148.118
104.152
120.151
136.151
106.168
106.168
106.168
106.168
122.167
122.167
122.167
122.167
122.167
122.167
122.167
122.167
122.167

MOLWT

 119.2
 134.5
 118.6
 24.9
 34.0
130.8
 30.7
19.6
 12.4
 25.2
 47.9
13.2
 95.0
 3.4
 4.2
44.8
 30.2
74.8
24.8
74.8
48.8
64.8

 57.2
 14.8
 30.4
43.7
 8.2
 69.8
 53.9
 117.6
 138.5
 126.6
 118.9
 109.9
 90.6
 118.3
 173.2
 123.8

54.8
 95.2
 37.5
 15.4
30.9
12.2
34.7

TFP
238.0
110.6
153.6
205.4
191.0
202.2
201.9
160.8
157.0
179.1
171.9
195.9
200.1
203.3
200.1
118.7
87.8
99.5
91.8
103.4
100.9
93.6
77.8
98.4
90.0
91.8
79.2
89.7
80.5
86.0
93.4
80.8
176.3
286.8
145.1
201.7
199.0
144.4
139.1
138.3
136.1
204.5
218.4
217.8
169.8
216.9
210.8
211.1
200.9
226.8

TBP
735.0
591.7
641.0
677.0
697.6
705.8
704.6
655.4
644.2
683.8
667.2
701.0
694.0
709.0
667.0
589.0
547.0
564.8
553.2
569.5
572.1
537.2
533.0
540.2
530.3
535.2
520.4
537.3
519.7
536.3
540.6
531.1
633.0
810.0
647.0
701.0
692.0
630.2
617.0
616.2
617.1
703.0
716.4
716.4
647.0
722.8
707.6
723.0
701.0
729.8

TC

0.376
0.396
0.369
0.376
0.379
0.374

0.390
0.360
0.368
0.362
0.375
0.368
0.440
0.400
0.432
0.421
0.404
0.416
0.393
0.418
0.414
0.416
0.398
0.435
0.368

0.343
0.343

0.334
0.282
0.310

0.371
0.316

VC

20
15
20
20
20
20
20
0
0

906
1032
1083
880
864
861
867
1037
1025
979

20
20
20
25
40
20
40
25
0
25
25
20
20
20
50
20
16
16
16
16
16
20
20
20
20
20
20
20
20
20
20
20
20

TDEN

1164
867
996
1041
1028
1034
1019
942
938
954
939
989
998
989
964
810
759
777
756
771
774
679
705
684
679
687
674
965
673
693
698
690
822

LDEN

47,311
47,143
46,892
44,380
49,823

43,124
36,844
36,383
36,006
35,588
48,106
50,828
50,660

45,364
45,636
44,799
33,076
30,312
31,719
30,878
32,301
31,150
31,108
28,889
31,719
30,689
30,815
29,182
30,409
29,517
29,668
30,978
28,968
48,148
49,614
36,844

50,535
45,217
47,436
47,478

46,875
33,201

HVAP
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350

NO

APPENDIX C

34.2

37.2
34.5
34.5
34.5
33.9
34.8
28.4
29.0
27.4
27.4
28.2
27.8
29.1
27.4
29.5
28.9
29.6
30.4
47.6
39.9
38.5
36.5
37.3
35.5
35.2
36.1

52.0
37.5
41.5

30.1
41.1
41.7
46.6
50.1
45.6
51.5

PC

C- 14
PHYSICAL PROPERTY DATA BANK

301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350

NO
255.24
325.85
367.21
365.61
370.75
372.68

332.74
356.46
354.07
356.02

249.72
271.58
214.32
232.53
225.13
226.19

361.83
276.71
310.82
332.33
277.98
257.18
261.40
264.22

305.91

915.12
1085.10
928.12
738.90

433.81
528.41
368.69
436.73
417.46
417.37

1287.00

528.64
1316.40
768.94
513.54
453.42
475.16
472.82

646.88

VISB

467.33
388.84
1088.00
1533.40
1785.60
1826.90

VISA

 157.34
 162.78
 161.53
 161.95
 156.50

 119.41
 138.37
 129.62
 136.78
 127.15
 154.87
 62.34
 86.54
 187.90
 195.06
 192.43
 206.28
 199.38
 202.14
 201.68
 189.79
 204.94
 332.01
 371.79
147.46
 86.92
 254.06
19.01
17.25
17.96
29.81
 145.78
 146.58
 144.65

 94.08
 128.70
 132.43
 125.48
68.29
66.44
70.05
72.81
85.41

50.03

DELHF

122.17
118.95
121.21
130.67

213.95
1.84

8.00
3.22
4.61
0.08
0.67
3.10
2.64
11.01
4.27
 121.00

63.05
39.06
45.76
38.39
44.59
27.30
95.88

199.33

 37.10
 40.57
 30.90

122.09

DELGF

78.670E-02
76.702E-02
76.158E-02
75.907E-02
75.111E-02
78.419E-02
62.969E-02
67.617E-02
86.416E-02
68.370E-02
89.556E-02
70.476E-02
68.370E-02
68.370E-02
68.370E-02
75.195E-02
67.784E-02
65.398E-02
61.588E-02
64.100E-02
55.015E-02
59.620E-02
62.969E-02
60.416E-02
70.715E-02

 5.146
 39.389
 7.046
 50.099
 7.046
 7.046
 7.046
 7.046
 22.944
4.907
 4.455
 28.248
 29.580
 21.210
 15.851
 29.165
 25.091
 43.099

56.815E-02

54.805E-02
70.045E-02
72.641E-02
70.548E-02

51.246E-02

CPVAPB

 76.187
 57.891
 55.643
 54.521
 55.312
 61.919
 3.303

 15.989

 7.398
 32.276
 45.008
 40.633

 24.355

CPVAPA

 3.651E-04
 6.289E-04
 3.734E-04
 6.360E-04
 3.734E-04
 3.734E-04
 3.734E-04
 3.734E-04
 4.421E-04
 3.447E-04
 4.283E-04
 4.023E-04
 4.071E-04
 1.799E-04
 3.443E-04
 3.747E-04
 3.374E-04
 4.811E-04

 4.204E-04
 4.501E-04
 4.484E-04
 4.480E-04
 4.396E-04
 4.438E-04
 3.512E-04

 3.033E-04

 3.357E-04
 5.924E-04
 6.029E-04
 5.757E-04

 2.765E-04

CPVAPC

76.577E-09
18.363E-08
78.335E-09
17.358E-08
78.335E-09
78.335E-09
78.335E-09
78.335E-09
10.048E-08
60.457E-09
10.094E-08
99.353E-09
97.217E-09
44.254E-09
75.279E-09
84.783E-09
68.203E-09
13.008E-08

75.614E-09
10.103E-08
10.140E-08
10.170E-08
10.040E-08
93.659E-09
76.074E-09

46.432E-09

77.707E-09
21.240E-08
20.775E-08
19.674E-08

49.111E-09

CPVAPD
16.0433
16.0137
16.2394
17.4582
15.9148
17.2878
16.1989
17.1492
16.3046
16.9517
16.8850
16.3066
16.7834
16.7498
16.6968
15.7818
15.6973
15.7729
15.7594
15.8581
15.7105
15.8894
15.6536
15.8737
15.8261
15.8133
15.6917
15.7815
15.7179
15.7190
15.8317
15.6398
15.3068
15.9984
16.0193
16.2384
16.2272
16.1156
16.1390
16.0963
16.0195
17.9610
17.1955
19.0905
16.1673
16.2424
13.2456
16.2328
16.2809
16.3004

ANTA
3914.07
3096.52
3430.82
4384.81
3305.37
4274.42
3479.39
4219.74
3545.14
4237.04
4106.95
3756.28
4072.58
4080.32
4041.04
3066.05
2807.94
2922.30
2861.53
2990.13
2926.04
2895.51
2719.47
2911.32
2845.06
2855.66
2740.15
2850.64
2744.78
2829.10
2882.44
2764.40
2626.42
4467.01
3328.57
3781.07
3751.83
3395.57
3366.99
3346.65
3272.47
4928.36
4272.77
5579.62
3473.20
3724.58
3655.26
3667.32
3749.35
3733.53

ANTB
 90.45
 53.67
 69.58
 73.15
 108.00
 74.09
 111.30
 33.04
 63.59
 41.65
 44.45
 80.71
 72.15
 73.15
 72.15
 56.80
 51.20
 52.94
 51.46
 52.47
 51.75
 53.97
 49.56
 56.51
 53.60
 53.93
 49.85
 51.33
 51.52
 47.83
 53.26
 47.10
 146.60
 83.15
 63.72
 81.15
 81.15
 59.46
 58.04
 57.84
 59.95
 45.75
 86.08
 44.15
 78.66
 102.40
 103.80
 102.40
 85.55
 113.90

ANTC
233
7
97
112
97
97
97
147
77
127
127
47
102
82
77
57
 13
3
 13
3
3
8
 20
3
9
8
 19
 11
 17
 13
7
 19
60
136
32
77
77
32
27
27
27
77
97
97
112
147
137
137
127
157

129
137
167
330
207
207
207
167
162
187
187
207
227
227
227
162
117
127
117
129
127
127
102
127
117
117
105
115
105
112
119
106
176
342
187
247
243
172
167
167
177
227
227
227
187
227
227
217
207
247

TMN TMX
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350

NO

APPENDIX C
PHYSICAL PROPERTY DATA BANK

C - 15

MOLWT
122.167
121.183
112.216
112.216
112.216
112.216
112.216
112.216
112.216
112.216
112.216
112.216
112.216
112.216
112.216
112.216
112.216
112.216
112.216
114.232
114.232
114.232
114.232
114.232
114.232
114.232
114.232
114.232
114.232
114.232
114.232
114.232
114.232
114.232
114.232
114.232
130.231
130.231
130.231
130.231
194.229
129.247
144.333
116.163
118.179
118.179
150.178
120.195
120.195
120.195

3;5-XYLENOL
N;N-DIMETHYLANILINE
1;1-DIMETHYLCYCLOHEXANE
CIS-1;2-DIMETHYLCYCLOHEXANE
TRANS-1;2-DIMETHYLCYCLOHEXANE
CIS-1;3-DIMETHYLCYCLOHEXANE
TRANS-1;3-DIMETHYLCYCLOHEXANE
CIS-1;4-DIMETHYLCYCLOHEXANE
TRANS-1;4-DIMETHYLCYCLOHEXANE
ETHYLCYCLOHEXANE
1;1;2-TRIMETHYLCYCLOPENTANE
1;1;3-TRIMETHYLCYCLOPENTANE
CIS;CIS;TRANS-1;2;4-TRIMETHYLCYCLOPENTANE
CIS;TRANS;CIS-1;2;4-TRIMETHYLCYCLOPENTANE
1-METHYL-1-ETHYLCYCLOPENTANE
N-PROPYLCYCLOPENTANE
ISOPROPYLCYCLOPENTANE
1-OCTENE
TRANS-2-OCTENE
N-OCTANE
2-METHYLHEPTANE
3-METHYLHEPTANE
4-METHYLHEPTANE
2;2-DIMETHYLHEXANE
2;3-DIMETHYLHEXANE
2;4-DIMETHYLHEXANE
2;5-DIMETHYLHEXANE
3;3-DIMETHYLHEXANE
3;4-DIMETHYLHEXANE
3-ETHYLHEXANE
2;2;3-TRIMETHYLPENTANE
2;2;4-TRIMETHYLPENTANE
2;3;3-TRIMETHYLPENTANE
2;3;4-TRIMETHYLPENTANE
2-METHYL-3-ETHYLPENTANE
3-METHYL-3-ETHYLPENTANE
1-OCTANOL
2-OCTANOL
2-ETHYLHEXANOL
BUTYL ETHER
TETRAETHYLENE GLYCOL
DIBUTYLAMINE
TETRAETHYL SILANE
INDENE
INDAN
ALPHA-METHYL STYRENE
ETHYL BENZOATE
N-PROPYLBENZENE
ISOPROPYLBENZENE
1-METHYL-2-ETHYLBENZENE

351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400

C8H10O
C8H11N
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18O
C8H18O
C8H18O
C8H18O
C8H18O5
C8H19N
C8H20SI
C9H8
C9H10
C9H10
C9H10O2
C9H12
C9H12
C9H12

NO FORMULA COMPOUND NAME

 34.9
 99.5
 96.1
 80.9

221.6
193.5
119.5
129.7
123.4
120.1
124.4
124.3
119.3
131.7
113.7
104.8
117.8
109.2
121.5
130.9
126.4
121.2
124.9
125.6
117.6
118.9
117.7
108.8
115.6
109.4
109.1
111.9
117.7
118.5
109.8
99.2
114.7
113.4
115.6
118.2
195.2
179.7
184.6
142.4
318.9
159.6
153.4
181.9
177.0
165.3
212.7
159.2
152.4
165.1

TBP

TC
715.6
687.0
591.0
606.0
596.0
591.0
598.0
598.0
590.0
609.0
579.5
569.5
579.0
571.0
592.0
603.0
601.0
566.6
580.0
568.8
559.6
563.6
561.7
549.8
563.4
553.5
550.0
562.0
568.8
565.4
563.4
543.9
573.5
566.3
567.0
576.5
658.0
637.0
613.0
580.0
795.8
596.0
603.7
691.9
681.1
654.0
697.0
638.3
631.0
651.0
36.3
29.7
29.7
29.7
29.7
29.7
29.7
29.7
30.3
29.4
28.3
28.8
28.1
29.9
30.0
30.0
26.2
27.7
24.8
24.8
25.4
25.4
25.3
26.2
25.5
24.8
26.5
27.0
26.0
27.3
25.6
28.2
27.3
27.1
28.1
34.5
27.4
27.6
25.3
21.0
25.3
26.0
38.2
36.3
34.0
32.4
32.0
32.1
30.4

PC

0.492
0.488
0.464
0.476
0.478
0.468
0.472
0.482
0.443
0.466
0.455
0.436
0.468
0.455
0.461
0.443
0.455
0.490
0.494
0.494
0.500
0.646
0.517
0.582
0.377
0.392
0.397
0.451
0.440
0.428
0.460

0.464

0.425

0.450

0.416

VC

20
20

20
20
20
20
20

911
1046
862
862
881

16
20
20
20
20
16
20
20
20
20
20
20
20
20
16
20
20
20
20
20
20
20
20
20
20

20
16
20
20
20
20
20
20
20

TDEN

767
766

781
776
715
720
703
702
706
705
695
712
700
693
710
719
718
716
692
726
719
719
727
826
821
833
768

956
785
796
776
766
785
783
763
788

LDEN

HVAP

38,309
44,799
38,267
37,556
38,895

39,775
36,473

32,615
33,662
32,908
32,825
33,871
33,787
32,615
34,332
32,615
31,694
33,076
33,076
33,662
34,131
34,122
33,787
34,332
34,436
33,829
33,913
33,913
32,280
33,226
32,615
32,657
32,490
33,298
33,633
32,029
31,028
32,364
32,753
32,988
32,816
50,660
44,380
46,599
37,263

49,404

NO
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400

APPENDIX C

 62.2
 82.5

 112.3
 107.4
 100.7
 109.3
 115.0
 90.9
 15.5
 32.0
 70.0
 97.9

 91.3
 126.2

 117.4
 112.7
 101.8
 87.8
 56.8
 109.2
 120.5
 121.0
 121.2

63.8
2.4
 33.5
 50.1
 88.2
 75.6
 90.2
 87.5
 37.0
 111.4

TFP

C- 16
PHYSICAL PROPERTY DATA BANK

351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400

NO
320.03

280.76

264.22
237.63
240.32
251.71
259.51

244.67
238.33
257.61
246.43

369.97
351.17
266.56
286.54

270.80
338.47
282.65
276.22

506.43

454.23

418.82
427.64
473.70
643.61

446.20

437.60
474.57
467.04

1312.10

1798.00
473.50

581.42

354.34
746.50
527.45
517.17

VISB

553.02

VISA

52.63
104.29
92.74
16.41
12.77
13.73
16.75
10.72
17.71
11.72
10.47
13.27
17.33
16.54
17.12
13.69
18.92
18.92
21.27
19.93
 120.16
 88.59

 148.17
 82.98
 94.58
 208.59
 215.62
 212.77
 212.23
 224.87
 214.07
 219.56
 222.78
 220.27
 213.15
 211.01
 220.27
 224.29
 216.58
 217.59
211.35
 215.12
 360.06
 365.55
 334.11

 42.944
 59.639
 24.329
20.670
 31.288
 39.364
 16.446

 4.099
 12.820
 6.096
 89.744
 9.215
 9.215
 9.215
 9.215
 9.215
 9.215
 9.215
 9.215
 9.215
 9.215
 7.461
 9.215
 9.215
 9.215
 9.215
6.171
25.879
 14.993
6.054
7.164
9.764

 55.973

 72.105
 68.370
 68.479
 65.163
 64.154
 64.154
 70.363
 63.891

CPVAPA

68.957E-02
78.126E-02
69.333E-02
68.873E-02
74.860E-02
78.419E-02
69.961E-02

72.390E-02
75.321E-02
77.121E-02
12.422E-01
78.586E-02
78.586E-02
78.586E-02
78.586E-02
78.586E-02
78.586E-02
78.586E-02
78.586E-02
78.586E-02
78.586E-02
77.791E-02
78.586E-02
78.586E-02
78.586E-02
78.586E-02
76.074E-02
76.409E-02
86.541E-02
77.288E-02
86.164E-02
80.805E-02

84.490E-02

89.974E-02
89.723E-02
91.230E-02
88.383E-02
88.258E-02
88.258E-02
91.314E-02
88.928E-02

CPVAPB

 4.340E-04
 4.841E-04
 4.530E-04
 3.608E-04
 4.601E-04
 5.087E-04
 4.120E-04

 4.036E-04
 4.442E-04
 4.195E-04
 1.176E-03
 4.400E-04
 4.400E-04
 4.400E-04
 4.400E-04
 4.400E-04
 4.400E-04
 4.400E-04
 4.400E-04
 4.400E-04
 4.400E-04
 4.287E-04
 4.400E-04
 4.400E-04
 4.400E-04
 4.400E-04
 3.797E-04
 4.224E-04
 5.280E-04
 4.085E-04
 2.904E-04
 4.392E-04

 4.924E-04

 5.020E-04
 5.137E-04
 5.355E-04
 4.932E-04
 5.016E-04
 5.016E-04
 5.309E-04
 5.108E-04

CPVAPC

91.482E-09
98.474E-09
11.807E-08
50.618E-09
10.810E-08
12.912E-08
93.282E-09

86.750E-09
10.505E-08
88.551E-09
46.180E-08
96.966E-09
96.966E-09
96.966E-09
96.966E-09
96.966E-09
96.966E-09
96.966E-09
96.966E-09
96.966E-09
96.966E-09
91.733E-09
96.966E-09
96.966E-09
96.966E-09
96.966E-09
62.635E-09
90.644E-09
12.845E-08
80.847E-09
 9.115E-08
92.486E-09

11.175E-08

10.304E-08
10.986E-08
11.811E-08
10.199E-08
10.685E-08
10.685E-08
11.547E-08
11.028E-08

CPVAPD
16.4192
16.9647
15.6535
15.7438
15.7337
15.7470
15.7371
15.7333
15.6984
15.8125
15.7084
15.6794
15.7543
15.7756
15.8222
15.8969
15.8561
15.9630
15.8554
15.9426
15.9278
15.8865
15.8893
15.7431
15.8189
15.7797
15.7954
15.7755
15.8415
15.8671
15.7162
15.6850
15.7578
15.7818
15.8040
15.8126
15.7428
14.7108
15.3614
16.0778
20.5564
16.7307
16.6385
16.4380
16.2601
16.3308
16.2065
16.0062
15.9722
16.1253

ANTA
3775.91
4276.08
3043.34
3148.35
3117.43
3081.95
3093.95
3098.39
3063.44
3183.25
3015.51
2938.09
3073.95
3009.70
3120.66
3187.67
3176.22
3116.52
3134.97
3120.29
3097.63
3065.96
3057.05
2932.56
3029.06
2965.44
2964.06
3011.51
3062.52
3057.57
2981.56
2896.28
3057.94
3028.09
3035.08
3102.06
3017.81
2441.66
2773.46
3296.15
8215.28
3721.90
3873.18
3994.97
3789.86
3644.30
3845.09
3433.84
3363.60
3535.33

ANTB
 109.00
 52.80
 55.30
 57.31
 54.02
 55.08
 57.76
 57.00
 54.57
 58.15
 54.59
 53.25
 54.20
 53.23
 55.06
 59.99
 55.18
 60.39
 58.00
 63.63
 59.46
 60.74
 60.59
 58.08
 58.99
 58.36
 58.74
 55.71
 58.29
 60.55
 54.73
 52.41
 52.77
 55.62
 57.84
 53.47
 137.10
 150.70
 140.00
 66.15
 11.50
 64.15
 39.33
 49.40
 57.00
 67.15
 84.15
 66.01
 63.37
 65.85

ANTC
137
72
10
17
13
11
15
14
10
20
6
0
10
9
13
21
16
16
16
19
12
13
12
3
10
5
5
6
11
13
4
4
7
7
9
10
70
72
75
32
227
49
153
77
77
75
88
43
38
48

TMN
227
207
147
157
151
147
152
152
147
160
141
131
145
144
149
158
154
147
152
152
144
145
144
132
142
135
135
138
144
145
136
125
142
140
142
145
195
180
185
182
427
186
1
277
277
220
258
188
181
194

TMX
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400

NO

PHYSICAL PROPERTY DATA BANK

7.83
3.94
1.21

137.33
137.08
131.17

231.36
35.25
41.24
34.50
29.85
36.34
37.97
31.74
39.27

 161.48
84.15
 181.12
 172.29
 180.12
 184.89
 176.68
 176.77
184.72
 171.87

 314.93

DELGF

DELHF

APPENDIX C

C - 17

FORMULA

C9H12
C9H12
C9H12
C9H12
C9H12
C9H18
C9H18
C9H18
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H29
C9H20
C10H8
C10H12
C10H14
C10H14
C10H14
C10H14
C10H14
C10H14
C10H14
C10H14
C10H14
C10H15N
C10H18
C10H18
C10H19N
C10H20
C10H20
C10H20
C10H20
C10H20
C10H20O
C10H22
C10H22
C10H22
C10H22
C10H22O
C11H10
C11H10
C11H14O2
C11H22
C11H22
C11H24
C12H8

NO

401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450

1-METHYL-3-ETHYLBENZENE
1-METHYL-4-ETHYLBENZENE
1;2;3-TRIMETHYLBENZENE
1;2;4-TRIMETHYLBENZENE
1;3;5-TRIMETHYLBENZENE
N-PROPYLCYCLOHEXANE
ISOPROPYLCYCLOHEXANE
1-NONENE
N-NONANE
2;2;3-TRIMETHYLHEXANE
2;2;4-TRIMETHYLHEXANE
2;2;5-TRIMETHYLHEXANE
3;3-DIMETHYLPENTANE
2;2;3;3-TETRAMETHYLPENTANE
2;2;3;4-TETRAMETHYLPENTANE
2;2;4;4-TETRAMETHYLPENTANE
2;3;3;4-TETRAMETHYLPENTANE
NAPHTHALENE
1;2;3;4-TETRAHYDRONAPHTHALENE
N-BUTYLBENZENE
ISOBUTYLBENZENE
SEC-BUTYLBENZENE
TERT-BUTYLBENZENE
1-METHYL-2-ISOPROPYLBENZENE
1-METHYL-3-ISOPROPYLBENZENE
1-METHYL-4-ISOPROPYLBENZENE
1;4-DIETHYLBENZENE
1;2;4;5-TETRAMETHYLBENZENE
N-BUTYLANILINE
CIS-DECALIN
TRANS-DECALIN
CAPRYLONITRILE
N-BUTYLCYCLOHEXANE
ISOBUTYLCYCLOHEXANE
SEC-BUTYLCYCLOHEXANE
TERT-BUTYLCYCLOHEXANE
1-DECENE
MENTHOL
N-DECANE
3;3;5-TRIMETHYLHEPTANE
2;2;3;3-TETRAMETHYLHEXANE
2;2;5;5-TETRAMETHYLHEXANE
1-DECANOL
1-METHYLNAPHTHALENE
2-METHYLNAPHTHALENE
BUTYL BENZOATE
N-HEXYLCYCLOPENTANE
1-UNDECENE
N-UNDECANE
ACENAPHTHALENE

COMPOUND NAME
120.195
120.195
120.195
120.195
120.195
126.243
126.243
126.243
128.259
128.259
128.259
128.259
128.259
128.259
128.259
128.259
128.259
128.174
132.206
134.222
134.222
134.222
134.222
134.222
134.222
134.222
134.222
134.222
149.236
138.254
138.254
153.269
140.270
140.270
140.270
140.270
140.270
156.269
142.286
142.286
142.286
142.286
158.285
142.201
142.201
178.232
154.297
154.297
156.313
152.196

MOLWT
161.3
162.0
176.0
169.3
164.7
156.7
154.5
146.8
150.8
133.6
126.5
124.1
146.1
140.2
133.0
122.2
141.5
217.9
207.5
183.2
172.7
173.3
169.1
178.3
175.1
177.1
183.7
196.8
240.7
195.7
187.2
242.8
180.9
171.3
179.3
171.5
170.5
216.3
174.1
155.6
160.3
137.4
230.2
244.6
241.0
249.8
203.1
192.6
195.9
270.0

 95.6
 62.4
 25.5
 46.2
 44.8
 94.5
 89.8
 81.4
 53.5

 49.2
 25.6
95.0

6.9
 30.5
34.5
 22.2

637.0
640.0
664.5
649.1
637.3
639.0
640.0
592.0
594.6
588.0
573.7
568.0
610.0
607.6
592.7
574.7
607.6
748.4
719.0
660.5
650.0
664.0
660.0
670.0
666.0
653.0
657.9
675.0
721.0
702.2
690.0
622.0
667.0
659.0
669.0
659.0
615.0
694.0
617.6
609.6
623.1
581.5
700.0
772.0
761.0
723.0
660.1
637.0
638.8
796.9

TC

21.1
23.2
25.1
21.9
22.3
35.7
35.1
26.3
21.4
20.0
19.7
32.2

28.4
29.4
34.6
32.3
31.3
28.1
28.4
23.4
23.1
24.9
23.7
23.3
26.7
27.4
26.0
24.8
27.2
40.5
35.2
28.9
31.4
29.5
29.7
29.0
29.4
28.3
28.1
29.4
28.4
31.4
31.4
32.5
31.5
31.2
26.7
26.6
22.1

PC

0.660
0.487

0.600
0.445
0.462
0.561

0.603

0.650

0.480
0.480
0.518

0.497
0.480

0.410

0.519

0.580
0.548

0.490
0.470
0.430
0.430
0.433

VC

751
740

830
1020
990
1006

730

971
973
860
853
862
867
876
861
857
862
838
932
897
870
820
799
795
813
813
741

719

720
717
752

865
861
894
880
865
793
802
745
718

LDEN

20
20

20
20
40
20

20

90
20
20
20
20
20
20
20
20
20
81
20
20
20
20
20
20
20
20
20

20

16
16
20

20
20
20
16
20
20
20
0
20

TDEN

39,306
36,676
36,383
35,295
50,242
46,055
46,055
48,986
41,198
40,905
41,533

38,686

38,519

39,398
45,552
48,944
39,356
38,519

38,142

36,341
36,940
34,792
34,039
33,787
36,006
35,295
34,290
32,866
34,960
43,292
39,733
39,272
37,849
37,974
37,639

38,560
38,435
40,068
39,272
39,063
36,090

HVAP
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450

NO

APPENDIX C

 41.2
 66.3
42.8
 29.7

 73.2
 42.2
78.8
 14.2
 43.2
 30.4
 17.9
 74.8

80.3
 31.2
 88.0
 51.5
 75.5
 57.9

 67.2

 120.2
 105.8

TBP

TFP

C- 18
PHYSICAL PROPERTY DATA BANK

401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450

NO
266.08
297.75
268.27
293.93
258.92
272.12

352.57
296.01
295.82

341.28
339.66
311.39

277.80
288.37

380.00
361.76
351.79
350.34
318.65
294.89
305.01

872.74
437.52
549.08

471.00
525.56

873.32

563.84

582.82

1111.10

702.27

598.30

518.37

558.61

1481.80
862.89
695.42
882.36
617.57
566.26
605.50

VISB

463.17

VISA

 37.417
15.265
 34.068
 112.457
 97.670

 22.27
 45.30
85.87
73.48
56.48

121.12
33.24
33.58
 104.25
217.84
216.29
78.25
129.54
41.62

 169.06
 182.42
 213.32

 124.22
 249.83
 258.74
 401.93
116.94
116.18
 209.63
 144.86
 270.47

 7.913
 70.372
 58.833
 62.341
14.570
 64.820
 56.518
 17.367
 58.322
 5.585
 8.395
 64.623

 4.664

 62.957

 48.759

 29.31
137.96
119.53

98.934E-02
11.020E-01

 65.147
 86.001

96.087E-02
12.322E-01
12.313E-01
12.447E-01
89.472E-02
93.868E-02
89.974E-02
86.751E-02
11.279E-01
10.027E-01
10.538E-01
88.509E-02

90.770E-02

10.627E-01

86.709E-02
65.188E-02
91.440E-02
11.183E-01
10.446E-01

90.644E-02

79.340E-02

 22.990

72.934E-02
71.762E-02
63.346E-02
62.383E-02
67.240E-02
98.892E-02
81.224E-02
67.742E-02
10.555E-01
11.045E-01
10.948E-01
11.262E-01
10.890E-01
10.890E-01
11.681E-01
10.911E-01
84.992E-02

112.75
24.83
24.53
22.52
13.44
35.09
34.33
32.66
34.04
34.12
223.74
167.05
144.78

 28.998
 27.310
 6.942
 4.668
 19.590
 62.517

CPVAPB

 3.718
3.144
 45.632
 60.311
 54.106
 67.269
 54.583
 54.583
 67.403
 54.918
 68.802

126.53
126.78
124.64
117.02
118.03
47.35

 1.93
 2.05
 9.59
 13.94
 16.08
 193.43

CPVAPA

 103.58
 229.19
 241.37
 243.38
254.18
231.95
 237.39
 237.22
 242.12
 236.39
151.06
27.63
 13.82
 21.56
 17.46
 22.69

DELGF

DELHF

 5.288E-04
 8.646E-04
 8.834E-04
 8.956E-04
 3.921E-04
 6.942E-04
 6.469E-04
 4.610E-04
 6.536E-04
 5.602E-04
 5.799E-04
 5.853E-04

 5.058E-04

 6.305E-04

 5.560E-04
 2.879E-04
 5.560E-04
 6.607E-04
 5.476E-04

 6.054E-04

 7.214E-04
 8.746E-04

 4.396E-04

 4.509E-04
 1.928E-04
 7.172E-04
 7.712E-04
 7.746E-04
 7.988E-04
 7.570E-04
 7.570E-04
 8.612E-04
 7.603E-04
 6.506E-04

 4.363E-04
 4.224E-04
 3.326E-04
 3.263E-04
 3.692E-04
 5.795E-04

CPVAPC

11.309E-08
24.551E-08
25.849E-08
26.180E-08
34.508E-09
20.155E-08
18.401E-08
72.348E-09
14.729E-08
12.163E-08
12.368E-08
13.054E-08

10.953E-08

14.001E-08

14.110E-08
32.569E-09
12.874E-08
14.369E-08
89.807E-09

16.274E-08

21.520E-08
28.265E-08

85.704E-09

97.050E-09
 2.981E-08
19.866E-08
21.876E-08
22.546E-08
23.061E-08
21.420E-08
21.420E-08
25.736E-08
21.579E-08
19.808E-08

99.981E-09
95.417E-09
66.110E-09
63.765E-09
76.995E-09
12.912E-08

CPVAPD

15.9116
15.8141
15.8670
15.7884
16.0129
19.0161
16.0114
15.7848
15.7598
15.8446
15.9395
16.2008
16.2758
16.3363
16.0140
16.0412
16.0541
16.3091

16.1545
16.1135
16.2121
16.2190
16.2893
15.8567
15.8260
16.0118
15.9671
15.8017
15.7639
15.7445
15.8709
15.7280
15.7363
15.6488
15.8029
16.1426
16.2805
16.0793
15.9524
15.9999
15.9300
15.9809
15.9811
15.9424
16.1140
16.3023
16.3994
15.8312
15.7989

ANTA

3542.57
3437.99
3524.57
3457.85
3448.18
5539.90
3456.80
3305.20
3371.05
3172.92
3389.43
4206.70
4237.37
4158.47
3702.56
3597.72
3614.07
4470.92

3521.08
3516.31
3670.22
3622.58
3614.19
3363.62
3346.12
3305.03
3291.45
3164.17
3084.08
3052.17
3341.62
3220.55
3167.42
3049.98
3269.07
3992.01
4009.49
3633.40
3512.47
3544.19
3462.28
3564.52
3543.79
3539.21
3657.22
3850.91
4079.72
3671.61
3610.66

ANTB

 72.32
 69.99
 70.78
 67.04
 76.09
 37.85
 78.67
 67.66
 64.09
 66.15
 139.00
 78.15
 74.75
 94.15
 81.55
 83.41
 85.45
 81.40

 64.64
 64.23
 66.07
 64.59
 63.57
 65.21
 63.71
 67.61
 71.33
 61.66
 61.94
 62.24
 57.57
 59.31
 58.21
 57.13
 58.19
 71.29
 64.98
 71.77
 69.03
 68.10
 69.87
 70.00
 69.22
 70.10
 71.18
 71.72
 96.15
 69.74
 66.49

ANTC

59
82
87
84
83
212
57
40
41
27
103
107
104
117
78
72
75
177

45
45
56
51
48
40
57
35
39
24
18
42
77
55
45
40
52
87
92
62
53
52
50
57
55
56
62
88
112
95
90

TMN

212
182
197
177
187
56
203
275
190
165
230
278
275
297
234
223
225
377

190
190
206
198
193
186
167
175
179
163
155
147
167
167
157
140
152
252
227
213
203
203
199
208
205
207
214
227
287
222
197

TMX
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450

NO

APPENDIX C
PHYSICAL PROPERTY DATA BANK

C - 19

FORMULA
C12H10
C12H10O
C12H24
C12H24
C12H26
C12H260
C12H26O
C12H27N
C13H10
C13H12
C13H26
C13H26
C13H28
C14H10
C14H10
C14H28
C14H28
C14H30
C15H12
C15H14
C15H30
C15H30
C15H32
C16H10
C16H10
C16H12
C16H22O4
C16H32
C16H32
C16H32O2
C16H34
C17H34
C17H36O
C17H36
C18H12
C18H14
C18H14
C18H14
C18H34O2
C18H36
C18H36
C18H36O2
C18H38
C18H38O
C19H38
C19H40
C20H40
C20H42
C20H42O
C21H42

NO

451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500

DIPHENYL
DIPHENYL ETHER
N-HEPTYLCYCLOPENTANE
1-DODECENE
N-DODECANE
DIHEXYL ETHER
DODECANOL
TRIBUTYLAMINE
FLUORENE
DIPHENYLMETHANE
N-OCTYLCYCLOPENTANE
1-TRIDECENE
N-TRIDECANE
ANTHRACENE
PHENANTHRENE
N-NONYLCYCLOPENTANE
1-TETRADECENE
N-TETRADECANE
1-PHENYLINDENE
2-ETHYLFLUORENE
N-DECYLCYCLOPENTANE
1-PENTADECENE
N-PENTADECANE
FLUORANTHENE
PYRENE
N-PHENYLNAPHTHALENE
DIBUTYL-O-PHTHALATE
N-DECYLCYCLOHEXANE
1-HEXADECENE
PALMIC ACID
N-HEXADECANE
N-DODECYLCYCLOPENTANE
HEPTADECANOL
N-HEPTADECANE
CHRYSENE
O-TERPHENYL
M-TERPHENYL
P-TERPHENYL
OLEIC ACID
1-OCTADECENE
N-TRIDECYLCYCLOPENTANE
STEARIC ACID
N-OCTADECANE
1-OCTADECANOL
N-TETRADECYLCYCLOPENTANE
N-NONADECANE
N-PENTADECYLCYCLOPENTANE
N-EICOSANE
1-EICOSANOL
N-HEXADECYLCYCLOPENTANE

COMPOUND NAME
154.212
170.211
168.324
168.324
170.340
186.339
186.339
185.355
166.223
168.239
182.351
182.351
184.367
178.234
178.234
196.378
196.378
198.394
192.261
194.277
210.405
210.405
212.421
202.256
202.256
204.272
278.350
224.432
224.432
256.431
226.448
238.459
256.474
240.475
228.294
230.310
230.310
230.310
282.469
252.486
252.486
284.485
254.502
270.501
266.513
268.529
280.540
282.556
298.555
294.567

MOLWT

36.8
65.8

31.8

255.2
258.0
224.1
213.3
216.3
226.4
259.9
213.4
297.9
264.3
243.7
232.7
235.4
341.2
339.4
262.1
251.1
253.5
322.0
309.0
279.3
268.3
270.6
393.0
362.0
316.0
334.8
297.6
284.8
348.5
286.8
310.9
323.8
302.0
448.0
331.8
364.8
375.8
362.3
314.8
325.4
371.9
316.3
334.8
325.8
329.9
351.8
343.8
355.8
363.8

TBP

750.0
717.0
791.0
717.0
750.0
736.0
733.0
993.6
891.0
924.8
926.0
797.0
739.0
761.0
810.0
745.0
747.0
772.0
756.0
780.0
767.0
770.0
791.0

789.0
766.0
679.0
657.0
658.3
657.0
679.0
643.0
822.3
767.0
694.0
674.0
675.8
883.0
878.0
710.5
689.0
694.0
843.7
811.1
723.8
704.0
707.0
936.6
892.1
840.1

TC

13.6
13.4
19.0
14.2
13.0
14.2
13.2
23.9
39.0
35.1
33.2
17.0
11.3
12.1
16.5
12.1
14.2
11.2
11.1
10.2
11.1
12.2
9.7

16.5
15.6
16.2
27.0
24.6
15.2
14.6
15.2
26.0
26.0
26.3

38.5
31.4
19.5
18.5
18.2
18.2
19.3
18.2
29.9
29.8
17.9
17.0
17.2

PC

1.054

1.000
0.736
0.769
0.784
0.779
1.035

0.946

0.880
0.660
0.637
0.605

0.830
0.598
0.629

0.780

0.534

0.713
0.720
0.718

0.502

VC

775

789

40

32

70
28
59

20
20

893
789
844
777
812

54
20

10
102
20

20

0
20

0
20

20
20

20

20
20
20
20
20

74
30

TDEN

848
778

788
828
773

1047

791
769

786
763

766
756

1006

758
748
794
835
779

990
1066

LDEN

56,019
56,061
57,694
57,527
65,314
59,369

68,131
54,303
54,345
70,049
54,512

79,131
50,409
50,451
66,992
51,246
52,628
60,709
52,921

49,027
48,692
49,488

45,427
45,008
45,678
56,522
55,684
47,269
46,934
47,646

44,380

45,636
47,143
43,375
42,998
43,668
45,636

HVAP
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500

NO

APPENDIX C

70.0
28.1
57.8

53.8
21.8
255.0
56.8
86.8
211.8
13.3
17.6

4.1
63.0
17.8

 35.2

 3.8
9.8
110.0
151.0

 12.9
5.8

 23.1
 5.4
216.5
100.5

114.0
26.8

 35.2
 9.6
 43.2
23.9

69.2
26.8

TFP

C- 20
PHYSICAL PROPERTY DATA BANK

369.58
379.29
333.12
310.07
318.78
323.35
398.89
312.48

346.19
323.71
332.10
405.81
357.74
336.13
344.21

368.30
347.46
355.92

336.24
378.69
357.85
366.11
385.53
375.90
461.27
460.94
461.10
376.93
392.78
385.00
399.62
393.54
406.33
401.67
412.29

733.87
1146.00
654.77
615.67
631.63
723.43
1417.80
889.06

695.83
658.16
664.10
513.28
735.19
697.49
689.85

771.74
739.13
718.51

2588.10
925.84
767.48
738.30
853.53
757.88

1094.10
940.58
911.01
816.19
891.80
777.40
924.60
793.62
950.57
811.29
977.42

451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500

VISB

VISA

NO

95.12
146.37
58.49

103.50
154.87
66.86

111.91
163.16
75.28

 250.87
 186.10
 311.71
224.83
202.64
 271.51
 206.66
 332.35
 292.15
 227.39
 352.99

 646.02
 289.22
 353.99
 764.51
 414.83
 566.85
 374.63
 435.43
 395.28
 456.07
 608.13
 415.87
100.57
 36.22
145.58
108.98
153.99
117.40
 19.43
162.41

188.45
137.08

83.74
126.02
 44.67
92.15

171.62

 87.13

 443.13

 247.98
 723.06
 373.59
 336.12
 546.25
 394.19

86.67
138.00
50.07

280.26

DELGF

182.21
49.99
 230.27
 165.46
 291.07

DELHF

16.643E-01
17.903E-01
17.170E-01
17.476E-01
18.845E-01
18.125E-01
19.804E-01
19.393E-01
19.498E-01
20.741E-01

 14.470
 8.704
 64.929
 15.491
 66.093
 22.383
 12.581
 66.683

15.290E-01
16.952E-01
16.529E-01
16.241E-01
13.415E-01

 13.017
 63.263
 7.792
 13.967
 115.757

 11.329
 64.209

13.167E-01
11.911E-01
12.452E-01
10.057E-01
10.057E-01
14.118E-01
12.858E-01
13.377E-01
11.865E-01
12.611E-01
15.077E-01
13.825E-01
14.327E-01
11.715E-01
11.916E-01
11.463E-01
12.539E-01
16.542E-01
14.750E-01

11.057E-01
92.821E-02
12.234E-01
10.978E-01
11.489E-01
10.735E-01
11.032E-01
11.978E-01
90.351E-02

 97.067
 60.730
 59.264
 6.544
 9.328
33.536
9.224
7.993
 54.491
 59.951
 7.118
 10.463
 58.979
 58.979
 60.809
 7.967
 10.982
 96.154
 107.036
 61.923
 9.203
 11.916
 80.706
 94.379
 99.516
1.880
 69.015
 9.705

CPVAPB

CPVAPA

 9.592E-04
 8.524E-04
 1.085E-03
 1.015E-03
 1.140E-03
 1.117E-03
 1.118E-03
 1.237E-03

 9.374E-04
 1.032E-03

 8.537E-04
 9.768E-04
 9.345E-04
 9.081E-04
 8.311E-04

 7.612E-04
 6.674E-04
 6.912E-04
 6.594E-04
 6.594E-04
 8.156E-04
 7.210E-04
 7.423E-04
 7.786E-04
 8.156E-04
 8.717E-04
 7.783E-04
 7.972E-04
 7.938E-04
 7.930E-04
 6.113E-04
 6.121E-04
 9.613E-04
 8.298E-04

 8.855E-04
 5.870E-04
 7.084E-04
 6.155E-04
 6.347E-04
 5.535E-04
 5.338E-04
 6.703E-04
 5.388E-04

CPVAPC

20.783E-08
21.575E-08
24.258E-08
22.052E-08
25.498E-08
25.284E-08
25.158E-08
26.682E-08

20.486E-08
23.094E-08

18.497E-08
21.855E-08
20.436E-08
19.720E-08
15.412E-08

17.082E-08
14.511E-08
14.897E-08
16.056E-08
16.056E-08
18.347E-08
15.692E-08
15.981E-08
17.650E-08
17.928E-08
19.590E-08
17.028E-08
17.199E-08
18.600E-08
17.559E-08
60.612E-09
69.710E-09
21.428E-08
18.104E-08

27.901E-08
13.586E-08
15.964E-08
13.410E-08
13.590E-08
16.777E-08
77.791E-09
14.486E-08
92.570E-09

CPVAPD

18.2445
16.2221
16.2270
19.8034
16.1232
15.6898
16.2632
16.1533
16.3092
16.4685
15.8233
16.3553

16.6832
16.3459
16.0589
16.0610
16.1134
16.3372
15.2638
16.2878
18.2166
14.4856
16.0941
16.0850
16.1355
17.6701
16.7187
16.1089
16.1643
16.1480
16.4170
16.5199
16.1261
16.1539
16.1724
16.4523
16.4842
16.9691
16.9539
16.1627
16.2203
18.9558
16.1841
16.1915
15.6161
16.1510
16.6038

ANTA

5884.49
4416.13
4483.13
7709.35
4361.79
3757.82
4439.38
4450.44
4642.01
4680.46
3912.10
4715.69

4602.23
4310.25
3850.38
3729.87
3774.56
3982.78
3242.04
3865.58
6462.60
2902.44
3983.01
3856.23
3892.91
6492.44
5477.94
4096.30
4018.01
4008.52
4872.90
4789.44
4203.94
4103.15
4121.51
5438.77
5203.08
5351.04
4852.47
4373.37
4245.00
7049.18
4214.91
4395.87
3672.62
4294.55
5915.26

ANTB

 127.26
 127.30
 131.30
 57.83
 129.90
 193.10
 138.10
 135.60
 145.10
 141.10
 203.10
 152.10

 70.42
 87.31
 88.75
 90.88
 91.31
 89.15
 157.10
 86.15
 13.40
 167.90
 95.85
 97.94
 98.93
 26.13
 69.39
 103.00
 102.70
 105.40
 97.30
 97.90
 109.70
 110.60
 111.80
 112.40
 107.20
 81.70
 138.10
 111.80
 115.20
 55.08
 118.70
 124.20
 188.10
 124.00
 128.10

ANTC

360
171
180
370
172
201
192
183
203
198
219
215

70
145
95
88
91
100
134
89
207
200
112
104
107
217
177
127
119
121
227
207
140
133
135
287
257
227
196
190
147
353
150
168
191
161
377

TMN

176
350
361
174
352
385
375
366
388
379
406
401

272
325
256
244
247
272
307
258
407
290
276
264
267
382
382
296
284
287
427
407
313
301
304
487
477
427
384
300
319
153
321
346
383
337
577

TMX
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500

NO

APPENDIX C
PHYSICAL PROPERTY DATA BANK

C - 21