Datasets:
BlakeMilstea
/
Van_Der_Waals_Constants

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Molecular Formula
stringlengths
1
7
Name
stringlengths
4
30
a bar L2/mol2
float64
0.03
96.5
b L/mol
stringlengths
4
7
C3F8
Perfluoropropane
12.96
0.1338
C3H5N
Propanenitrile
21.57
0.1369
C3H6
Propene
8.438
0.08242
C3H6
Cyclopropane
8.293
0.0742
C3H6O
Acetone
16.02
0.1124
C3H6O
Propanal
14.08
0.09947
C3H6O2
Ethyl formate
15.91
0.1115
C3H6O2
Methyl acetate
15.75
0.1108
C3H6O2
Propanoic acid
23.49
0.1386
C3H7Cl
1-Chloropropane
16.11
0.1141`
C3H8
Propane
9.385
0.09044
C3H8O
1-Propanol
16.26
0.108
C3H8O
2-Propanol
15.82
0.1109
C3H8O
Ethyl methyl ether
12.7
0.1034
C3H8S
Ethyl methyl sulphide
19.45
0.13
C3H9N
Propylamine
15.26
0.1094
C3H9N
Trimethylamine
13.37
0.1101
C4H4O
Furan
12.74
0.0926
C4H4S
Thiophene
17.21
0.1058
C4H4N
Pyrrole
18.82
0.1049
C4H6
1,3-Butadiene
12.17
0.102
C4H6O3
Acetic anhydride
26.8
0.157
C4H7N
Butanenitrile
25.76
0.1568
C4H8
1-Butene
12.76
0.1084
C4H8
Cyclobutane
12.39
0.096
C4H8O
2-Butanone
19.97
0.1326
C4H8O
Tetrahydrofuran
16.39
0.1082
C4H8O2
1,4-Dioxane
19.29
0.1171
C4H8O2
Ethyl acetate
20.57
0.1401
C4H8O2
Methyl propanoate
20.51
0.1377
C4H8O2
Propyl formate
20.79
0.1377
C4H8O2
Butanoic acid
28.18
0.1609
C4H9N
Pyrrolidine
16.84
0.1056
C4H10
Butane
13.93
0.1168
C4H10
Isobutane
13.36
0.1168
C4H10O
1-Butanol
20.9
0.1323
C4H10O
2-Methyl-2-propanol
18.81
0.1324
C4H10O
2-Methyl-1-propanol
20.35
0.1324
C4H10O
Diethyl ether
17.46
0.1333
C4H10S
Diethyl sulphide
22.85
0.1462
C4H11N
Butylamine
19.41
0.1301
C4H11N
Diethylamine
19.4
0.1383
C4H12Si
Tetramethylsilane
20.81
0.1653
C5H4O2
Furfural
22.23
0.1182
C5H5N
Pyridine
19.77
0.1137
C5H8
Cyclopentene
15.61
0.1097
C5H10
1-Pentene
17.86
0.137
C5H10
2-Methyl-1-butene
16.9
0.129
C5H10
2-Methyl-2-butene
17.26
0.1279
C5H10
Cyclopentane
16.94
0.118
C5H10O
Tetrahydropyran
20.02
0.1247
C5H10O2
Isobutyl formate
22.82
0.1476
C5H10O2
Propyl acetate
26.23
0.17
C5H10O2
Ethyl propanoate
25.86
0.1688
C5H10O2
Methyl butanoate
25.83
0.1661
C5H10O2
Methyl isobutanoate
24.87
0.1639
C5H11N
Piperidine
20.84
0.125
C5H12
Pentane
19.13
0.1451
C5H12
Isopentane
18.29
0.1415
C5H12
Neopentane
17.17
0.141
C5H12O
1-Pentanol
25.81
0.1564
C6H5Br
Bromobenzene
28.96
0.1541
C6H5Cl
Chlorobenzene
25.8
0.1454
C6H5F
Fluorobenzene
20.1
0.1279
C6H5I
Iodobenzene
33.54
0.1658
C6H6
Benzene
18.82
0.1193
C6H5OH
Phenol
22.93
0.1177
C6H5NH2
Aniline
29.14
0.1486
C6H10O
Cyclohexanone
31.1
0.17
C6H11N
Hexanenitrile
35.5
0.1996
C6H12
Cyclohexane
21.95
0.1413
C6H11OH
Cyclohexanol
28.93
0.1586
C6H12O2
Pentyl formate
27.97
0.173
C6H12O2
Isobutyl acetate
29.05
0.1845
C6H12O2
Ethyl butanoate
30.53
0.1922
C6H12O2
Ethyl 2-methylpropanoate
29.05
0.1872
C6H12O2
Methyl pentanoate
29.39
0.1847
C6H14
Hexane
24.97
0.1753
C6H14
2,3-Dimethylbutane
23.29
0.166
C6H14O
1-Hexanol
31.35
0.1829
C6H15N
Triethylamine
27.59
0.1836
C6H15N
Dipropylamine
24.82
0.1591
C7H5N
Benzonitrile
33.89
0.1727
C7H6O
Benzaldehyde
30.3
0.1553
C7H8
Toluene
24.89
0.1499
C7H8O
o-Cresol
28.33
0.1447
C7H8O
m-Cresol
31.86
0.1609
C7H8O
p-Cresol
28.11
0.1422
C7H8O
Benzyl alcohol
34.7
0.173
C7H8O
Anisole
28.6
0.1579
C7H16
Heptane
30.89
0.2038
C7H15OH
Heptanol
37.22
0.2097
C8H10
Ethylbenzene
30.86
0.1782
C8H10
o-Xylene
31.06
0.1756
C8H10
m-Xylene
31.41
0.1814
C8H10
p-Xylene
31.54
0.1824
C8H10O
Phenetole
35.7
0.1966
C8H11N
N,N-Dimethylaniline
37.92
0.1967
C8H18
Octane
37.86
0.2372
C8H18
2,5-Dimethylhexane
35.49
0.2299