Solubility

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Solubility of hydrocarbons, halogenated hydrocarbons, and oxygen-containing hydrocarbons

One may recall that, in freshman chemistry (or was it qualitative organic analysis?), organic compounds were classified as "soluble" or "insoluble" in a particular solvent (this includes water) as a result of the results from a simple test where one part of the test material (by weight) is shaken with nine or ten parts solvent (usually by volume, i.e., a w/v solubility test). If the compound dissolved, it was declared soluble. If it did not dissolve, it was declared insoluble. This was quite valuable in classifying the organic compound. However, this is, of course, of limited value in biochemical or environmental studies, since a compound of very low solubility (orders of magnitude lower than 10% w/v) can have far-reaching influences. To make the estimation of solubility a little easier we have put together a solubility table to enable the scientist or engineer to come up with a first pass guess of what kinds of concentrations she/he is dealing with when addressing possible limits of solubility. Of course, the presence of other solutes, or temperature variations, can have profound effects on solubility. None-the-less, solubility tables can be one tool at your disposal.

The attached Excel file consists of a series of tables compiled from the literature. The there are three tables divided into:

I. HYDROCARBON GROUP

II. HALOGENATED HYDROCARBON GROUP

III. OXYGEN-CONTAINING COMPOUNDS GROUP

We request that the tables may only be used with proper reference and credit to Louis DeFilippi, Louis DeFilippi, LLC. If you don't agree with this, don't access the tables!

Please click on the link below for the table.

We've (finally) been able to figure out how to get the Excel file to download properly, sooooooo you now have two choices. The old way (especially if you do not have Excel) is to simply cut the material below and paste into a data base (for example, in Excel, you use "paste special" and choose "text". You then get one big column of data. Then, convert the data into a table using "data", "text to columns", "delimited", "space" [not tab or any other checks], and you should be all set!)

The alternative, is to click on the link, below, and it should open up directly in your system. Good Luck!!

Soltabl3.xls

I. HYDROCARBON GROUP

COMPOUND MW solubility solubility solubility
NAME (g/mol) log(L/mol) mmol/L mg/L
methane 16.04 2.82 1.5 24
ethyne 26.02 -0.29 1949.8 50735
ethene 28.05 2.33 4.7 131
ethane 30.07 2.73 1.9 56
propyne 40.06 0.41 389.0 15585
propene 42.08 2.03 9.3 393
cyclopropane 42.08 1.07 85.1 3582
propane 44.10 2.82 1.5 67
butadiyne 50.06 0.44 363.1 18176
1-buten-3-yne 52.07 1.09 81.3 4232
1-butyne 54.09 0.88 131.8 7130
1,3-butadiene 54.09 1.87 13.5 730
1-butene 56.11 2.40 4.0 223
cis-2-butene 56.11 1.93 11.7 659
trans-2-butene 56.11 2.04 9.1 512
2-methylpropene 56.11 1.99 10.2 574
n-butane 58.12 2.91 1.2 72
isobutane 58.12 3.04 0.9 53
1.2-cyclopentadiene 66.09 1.99 10.2 676
1-pentyne 68.12 1.64 22.9 1561
1,4-pentadiene 68.12 2.08 8.3 567
cyclopentene 68.12 2.10 7.9 541
2-methyl-1,3-butadiene 68.12 2.03 9.3 636
1-pentene 70.14 2.67 2.1 150
2-pentene 70.14 2.54 2.9 202
cyclopentane 70.14 2.65 2.2 157
2-methyl-1-butene 70.14 2.73 1.9 131
2-methyl-2-butene 70.14 2.56 2.8 193
3-methyl-1-butene 70.14 2.73 1.9 131
n-pentane 72.15 3.27 0.5 39
neopentane 72.15 3.34 0.5 33
2-methylbutane 72.15 3.18 0.7 48
1,4-cyclohexadiene 80.13 1.93 11.7 941
1-hexyne 82.15 2.36 4.4 359
3-hexyne 82.15 1.99 10.2 841
1,5-hexadiene 82.15 2.69 2.0 168
cyclohexene 82.15 2.58 2.6 216
2,3-dimethyl-1,3-butadiene 82.15 2.40 4.0 327
1-hexene 84.16 3.23 0.6 50
2-hexene 84.16 3.10 0.8 67
cyclohexane 96.26 3.18 0.7 64
methylcyclopentane 84.16 3.30 0.5 42
2-methyl-1-pentene 84.16 3.03 0.9 79
4-methyl-1-pentene 84.16 3.24 0.6 48
n-hexane 100.29 3.96 0.1 11
2-methylpentane 86.18 3.79 0.2 14
3-methylpentane 86.18 3.83 0.1 13
2.2-dimethylbutane 86.18 3.67 0.2 18
2,3-dimethylbutane 86.18 3.61 0.2 21
2,5-norbornadiene 1.03 93.3 0
cycloheptatriene 92.14 1.16 69.2 6375
1,6-heptadiyne 92.14 1.75 17.8 1639
1-heptyne 96.17 3.01 1.0 94
2-heptyne 96.17 2.64 2.3 220
2-methyl-3-hexyne 96.17 2.59 2.6 247
1,6-heptadiene 96.17 3.34 0.5 44
cycloheptene 96.17 3.18 0.7 64
1-methylcyclohexene 96.17 3.27 0.5 52
1-heptene 98.19 3.55 0.3 28
2-heptene 98.19 3.82 0.2 15
cycloheptane 98.19 3.51 0.3 30
methylcyclohexane 98.19 3.79 0.2 16
n-heptane 100.21 4.62 0.0 2
2-methylhexane 100.21 4.60 0.0 3
3-methylhexane 100.21 4.58 0.0 3
2,2-dimethylpentane 100.21 4.36 0.0 4
2,3-dimethylpentane 100.21 4.28 0.1 5
2,4-dimethylpentane 100.21 4.39 0.0 4
3,3-dimethylpentane 100.21 4.23 0.1 6
4-vinylcyclohexene 108.18 3.34 0.5 49
1-octyne 110.20 3.61 0.2 27
2,2-dimethyl-3-hexyne 25.20 3.03 0.9 24
1-octene 112.22 4.62 0.0 3
cyclooctane 112.22 4.15 0.1 8
1.2-dimethylcyclohexane 112.22 4.27 0.1 6
1,4-dimethylcyclohexane 112.22 4.47 0.0 4
1,1,3-trimethylcyclopentane 112.22 4.48 0.0 4
propylcyclopentane 112.22 4.74 0.0 2
n-octane 114.23 5.22 0.0 1
3-methylheptane 114.23 5.16 0.0 1
2,2,4-trimethylpentane 114.23 4.71 0.0 2
2,3,4-trimethylpentane 114.23 4.80 0.0 2
1,8-nonadiyne 120.17 2.98 1.0 126
1-nonyne 124.20 4.26 0.1 7
2,2,5-trimethyl-3-hexyne 124.20 3.51 0.3 38
2,2,5-trimethylhexane 124.20 5.05 0.0 1
2,2,5,5-tetramethyl-3-hexyne 138.23 3.69 0.2 28
benzene 78.11 1.65 22.4 1749
toluene 92.14 2.29 5.1 473
styrene 104.15 2.62 2.4 250
ethylbenzene 106.17 2.80 1.6 168
o-xylene 106.17 2.79 1.6 172
m-xylene 106.17 2.83 1.5 157
p-xylene 106.17 2.77 1.7 180
indan 118.18 3.08 0.8 98
propylbenzene 120.20 3.34 0.5 55
1,2,3-trimethylbenzene 120.20 3.26 0.5 66
i-propylbenzene 120.20 3.38 0.4 50
1,2,4-trimethylbenzene 120.20 3.32 0.5 58
1,3,5-trimethylbenzene 120.20 3.39 0.4 49
n-butylbenzene 134.22 3.96 0.1 15
sec-butylbenzene 134.22 3.98 0.1 14
tert-butylbenzene 134.22 3.62 0.2 32
p-cymeme 134.22 3.76 0.2 23
1-methylnaphthalene 142.20 3.71 0.2 28
tert-amylbenzene 148.25 4.15 0.1 10
1-ethylnaphthalene 156.23 4.19 0.1 10
2-ethylnaphthalene 156.23 4.29 0.1 8
1,3-dimethylnaphthalene 156.23 4.29 0.1 8
1,4-dimethylnaphthalene 156.23 4.14 0.1 11
1,4,5-trimethylnaphthalene 170.26 4.92 0.0 2
1,1,3-trimethylcyclohexane 126.22 4.85 0.0 2
1,1,4-trimethylcyclohexane 126.22 5.22 0.0 1
4-methyloctane 128.26 6.05 0.0 0
n-nonane 128.26 5.88 0.0 0
p-mentha-1,8-diene 136.24 3.99 0.1 14
decalin 138.25 5.19 0.0 1
pentylcyclopentane 140.27 6.08 0.0 0
1-decene 140.27 4.39 0.0 6
decane 142.29 6.98 0.0 0
2-methyldecalin 6.57 0.0 0
n-undecane 156.31 7.59 0.0 0
n-dodecane 170.34 7.67 0.0 0

tetrachloromethane 153.82 2.28 5.2 807
bromoform 252.75 1.90 12.6 3182
chloroform 119.38 0.92 120.2 14353
dibromomethane 173.85 1.18 66.1 11486
bromochloromethane 199.53 1.16 69.2 13804
dichloromethane 84.93 0.63 234.4 19910
diiodomethane 267.84 2.34 4.6 1224
iodomethane 141.94 1.00 100.0 14194
tetrachloroethene 165.83 2.53 3.0 489
chloropentafluoroethane 154.47 2.79 1.6 251
1,1-dichlorotetrafluoroethane 170.92 2.93 1.2 201
1.2-dichlorotetrafluoroethane 170.92 2.74 1.8 311
tetrafluoroethaene 100.01 1.60 25.1 2512
1,1,2,2-tetrachlorodifluoroethane 203.83 3.19 0.6 132
1,1,2-trichlorotrifluoroethane 187.38 3.04 0.9 171
trichloroethene 131.39 1.95 11.2 1474
pentachloroethane 202.30 2.61 2.5 497
2-bromo-2-chloro-1,1,1-trifluoroethane 197.39 1.70 20.0 3938
1,1,2,2-tetrabromoethane 345.67 2.73 1.9 644
cis-1,2-dichloroethene 96.94 1.10 79.4 7700
trans-1,2-dichloroethene 96.94 1.19 64.6 6259
1,1,2,2-tetrachloroethane 169.87 1.76 17.4 2952
2-chloro-1,1,1-trifluoroethane 118.49 1.15 70.8 8388
1,1,1-trichloroethane 133.41 2.01 9.8 1304
1,1,2-trichloroethane 133.41 1.46 34.7 4626
1-chloro-1,1-difluoroethane 100.50 1.20 63.1 6341
1,2-dibromoethane 187.87 1.64 22.9 4304
1,1-dichloroethane 98.96 1.29 51.3 5075
1,2-dichloroethane 98.96 1.04 91.2 9025
1-bromo-2-chloroethane 143.42 1.32 47.9 6865
1-chloro-2-fluoroethane 82.51 0.51 309.0 25497
1,1-difluoroethane 66.05 0.57 269.2 17778
bromoethane 108.97 1.06 87.1 9491
iodoethane 155.97 1.28 52.5 8185
3-chloropropene 76.53 1.60 25.1 1922
1,2-dibromopropane 201.90 2.14 7.2 1463
1,3-dibromopropane 201.90 2.08 8.3 1679
1,2-dichloropropane 112.99 1.61 24.5 2774
1,3-dichloropropane 112.99 1.61 24.5 2774
1-bromopropane 123.00 1.73 18.6 2290
2-bromopropane 123.00 1.63 23.4 2883
1-chloropropane 78.54 1.53 29.5 2318
2-chloropropane 78.54 1.36 43.7 3428
1-iodopropane 169.99 2.29 5.1 872
2-iodopropane 169.99 2.09 8.1 1382
hexachloro-1,3-butadiene 260.76 4.91 0.0 3
1,1-dichlorobutane 127.01 2.40 4.0 506
1-bromobutane 137.03 2.37 4.3 585
1-bromo-2-methylpropane 137.03 2.43 3.7 509
1-chlorobutane 92.57 2.14 7.2 671
1-chloro-2-methylpropane 106.60 2.00 10.0 1066
iodobutane 184.02 2.96 1.1 202
1-bromo-3-methylbutane 151.05 2.89 1.3 195
1-chloropentane 106.60 2.73 1.9 198
2-chloropentane 106.60 2.63 2.3 250
3-chloropentane 106.60 2.63 2.3 250
1,2,4-trichlorobenzene 181.45 3.72 0.2 35
1,2-dibromobenzene 235.92 3.50 0.3 75
1,3-dibromobenzene 235.92 3.38 0.4 98
2-bromochlorobenzene 191.46 3.19 0.6 124
3-bromochlorobenzene 191.46 3.21 0.6 118
1,2-dichlorobenzene 147.00 3.01 1.0 144
1,3-dichlorobenzene 147.00 3.08 0.8 122
2-chloroiodobenzene 238.46 3.54 0.3 69
3-chloroiodobenzene 238.46 3.55 0.3 67
1,2-difluorobenzene 114.09 2.00 10.0 1141
1,3-difluorobenzene 114.09 2.00 10.0 1141
1,4-difluorobenzene 114.09 1.97 10.7 1222
bromobenzene 157.02 2.55 2.8 443
chlorobenzene 112.56 2.36 4.4 491
fluorobenzene 96.10 1.79 16.2 1559
iodobenzene 204.01 2.77 1.7 346
2-chlorophenol 128.56 1.05 89.1 11458
a-chlorotoluene 126.59 2.43 3.7 470
a,a,a-trifluorotoluene 146.11 2.51 3.1 452
1-bromo-2-ethylbenzene 185.07 3.67 0.2 40
1-bromo-2-propylbenzene 199.10 4.19 0.1 13
2,4-dichlorobiphenyl 223.10 5.20 0.0 1
2,5-dichlorobiphenyl 223.10 5.59 0.0 1
3-chlorobiphenyl 188.66 5.16 0.0 1

divinyl ether 0.96 109.6 0
tetrahydrofuran 72.11 -0.62 4168.7 300605
diethyl ether 74.12 0.06 871.0 64556
methyl n-propyl ether 74.12 0.37 426.6 31620
methyl isopropyl ether 74.12 0.03 933.3 69173
cyclopropyl vinyl ether 71.10 1.10 79.4 5648
cyclopropyl ethyl ether 86.13 0.64 229.1 19732
tetrahydropyran 86.13 -0.05 1122.0 96639
2-methyltetrahydrofuran 86.13 -0.31 2041.7 175855
3-methyltetrahydrofuran 86.13 -0.09 1230.3 105963
methyl n-butyl ether 88.15 0.99 102.3 9020
methyl isobutyl ether 88.15 0.90 125.9 11097
methyl sec-butyl ether 88.15 0.73 186.2 16414
methyl tert-butyl ether 88.15 0.21 616.6 54353
ethyl n-propyl ether 88.15 0.67 213.8 18846
ethyl isopropyl ether 88.15 0.55 281.8 24844
diallyl ether 98.15 0.02 955.0 93733
n-propyl ether 102.18 1.32 47.9 4891
n-propyl isopropyl ether 102.18 1.34 45.7 4671
isopropyl ether 102.18 1.70 20.0 2039
anisole 108.14 2.88 1.3 143
n-butyl ether 130.23 2.77 1.7 221
methanol 33.03 -1.26 18197.0 601047
ethanol 46.07 -1.10 12589.3 579987
propanol 60.10 -0.62 4168.7 250538
1-butanol 74.12 -0.03 1071.5 79421
2-butanol 74.12 -0.47 2951.2 218744
2-methyl-1-propanol 74.12 -0.10 1258.9 93312
1-penten-3-ol 86.13 -0.02 1047.1 90189
3-penten-2-ol 86.13 -0.06 1148.2 98890
4-penten-1-ol 86.13 0.15 707.9 60975
1-pentanol 88.15 0.59 257.0 22658
2-pentanol 88.15 0.28 524.8 46262
3-pentanol 88.15 0.21 616.6 54353
2-methyl-1-butanol 88.15 0.46 346.7 30565
2-methyl-2-butanol 88.15 -0.15 1412.5 124515
3-methyl-1-butanol 88.15 0.51 309.0 27241
3-methyl-2-butanol 88.15 0.18 660.7 58240
cyclohexanol 100.16 0.42 380.2 38080
1-hexen-3-ol 100.16 0.59 257.0 25745
2-hexen-4-ol 100.16 0.40 398.1 39874
2-methyl-4-penten-3-ol 100.16 0.50 316.2 31673
1- nonanol 144.26 3.01 1.0 141
2-nonanol 144.26 2.74 1.8 263
3-nonanol 144.26 2.66 2.2 316
4-nonanol 144.26 2.59 2.6 371
5-nonanol 144.26 2.49 3.2 467
7-methyloctanol 144.26 2.49 3.2 467
2,2-diethylpentanol 144.26 2.42 3.8 548
2-methyl-1-pentanol 102.18 1.11 77.6 7932
4-methyl-1-pentanol 102.18 1.14 72.4 7402
2-ethyl-1-butanol 102.18 1.01 97.7 9985
2,2-dimethyl-1-butanol 102.18 0.91 123.0 12571
1-hexanol 102.18 1.21 61.7 6300
2-hexanol 102.18 0.87 134.9 13784
3-hexanol 102.18 0.80 158.5 16194
2-methyl-2-pentanol 102.18 0.49 323.6 33065
2-methyl-3-pentanol 102.18 0.70 199.5 20388
3-methyl-2-pentanol 102.18 0.71 195.0 19924
3-methyl-3-pentanol 102.18 0.36 436.5 44603
4-methyl-2-pentanol 102.18 0.79 162.2 16572
2,3-dimethyl-2-butanol 102.18 0.37 426.6 43588
2,3-dimethyl-1-butanol 102.18 0.37 426.6 43588
3,3-dimethyl-1-butanol 102.18 0.50 316.2 32312
3,3-dimethyl-2-butanol 102.18 0.61 245.5 25082
m-cresol 108.14 0.66 218.8 23658
benzyl alcohol 108.14 0.45 354.8 38370
1-heptanol 116.20 1.81 15.5 1800
2-methyl-2-hexanol 116.20 1.07 85.1 9890
3-methyl-3-hexanol 116.20 0.98 104.7 12168
3-ethyl-3-pentanol 116.20 0.83 147.9 17187
2,2-dimethyl-3-pentanol 116.20 1.15 70.8 8226
2,3-dimethyl-2-pentanol 116.20 0.87 134.9 15675
2,3-dimethyl-3-pentanol 116.20 0.84 144.5 16796
2,4-dimethyl-2-pentanol 116.20 0.93 117.5 13652
2,4-dimethyl-3-pentanol 116.20 1.22 60.3 7002
2-heptanol 116.20 1.55 28.2 3275
3-heptanol 116.20 1.44 36.3 4219
4-heptanol 116.20 1.40 39.8 4626
2-methyl-3-hexanol 116.20 1.32 47.9 5562
5-methyl-2-hexanol 116.20 1.38 41.7 4844
2,2-dimethylpentanol 116.20 1.52 30.2 3509
2,4-dimethylpentanol 116.20 1.60 25.1 2919
4,4-dimethylpentanol 116.20 1.55 28.2 3275
2,3,3-trimethyl-2-butanol 116.20 0.71 195.0 22657
1-octanol 130.23 2.35 4.5 582
2-octanol 130.23 2.09 8.1 1059
2-ethyl-1-hexanol 130.23 2.11 7.8 1011
2-methyl-2-heptanol 130.23 1.72 19.1 2481
3-methyl-3-heptanol 130.23 1.60 25.1 3271
2,2,3-trimethyl-3-pentanol 130.23 1.27 53.7 6994
2,6-dimethyl-4-heptanol 144.26 2.16 6.9 998
3,5-dimethyl-4-heptanol 144.26 2.51 3.1 446
a-terpineol 154.25 1.89 12.9 1987
1-decanol 158.29 3.63 0.2 37
2-undecanol 172.31 2.94 1.1 198
1-dodecanol 186.34 4.67 0.0 4

(Many thanks to UMANG CHAWLA and BILL SHERIDAN for their help in compiling these tables!!)