ONS Challenge

Solubility Prediction from Abraham Descriptors

Model Description
The solubility values are predicted using Abraham's general solvation model. If you don't have the descriptors handy for your solute, try our Abraham descriptor prediction service derived from a linear regression analysis of the Open Notebook Science solubility data and literature values. See our other models or try the benzoic acid example.

Enter Solute Data
E: S: A: B: V:
Solute SMILES:
Water Solubility:M (optional - if no water value is inputted, it will be predicted)
 

Predicted Molar Solubilities
SoluteSolubility (M)
1,2-dichloroethane3.500 
1,4-dioxane6.481*
1-butanol6.481*
1-chlorobutane1.599 
1-decanol6.481*
1-heptanol6.481*
1-hexadecene0.281 
1-hexanol6.481*
1-octanol6.481*
1-pentanol6.481*
1-propanol6.481*
2,2,4-trimethylpentane0.186 
2-butanol6.481*
2-methyl-1-propanol6.481*
2-methyl-2-propanol6.481*
2-pentanol6.481*
2-propanol6.481*
3-methyl-1-butanol6.481*
acetone6.481*
acetonitrile3.166 
benzene2.521 
benzonitrile6.481*
bromobenzene1.623 
butanone6.481*
butyl acetate6.481*
carbon disulfide0.455 
carbon tetrachloride1.000 
chlorobenzene2.100 
chloroform6.481*
cyclohexane0.264 
cyclohexanone6.481*
decane0.241 
dibutyl ether4.550 
SoluteSolubility (M)
dibutylformamide6.481*
dichloromethane4.926 
diethyl ether6.481*
diethylacetamide6.481*
diisopropyl ether6.481*
dimethylacetamide6.481*
DMF6.481*
DMSO6.481*
dodecane0.170 
ethanol6.481*
ethanol/water(10:90)vol0.247 
ethanol/water(20:80)vol0.462 
ethanol/water(30:70)vol1.052 
ethanol/water(40:60)vol2.623 
ethanol/water(50:50)vol6.481*
ethanol/water(60:40)vol6.481*
ethanol/water(70:30)vol6.481*
ethanol/water(80:20)vol6.481*
ethanol/water(90:10)vol6.481*
ethyl acetate6.481*
ethylbenzene1.447 
ethylene glycol6.481*
fluorobenzene2.487 
formamide5.875 
heptane0.246 
hexadecane0.178 
hexane0.233 
iodobenzene1.324 
isopropyl myristate2.722 
m-xylene1.471 
methanol6.481*
methyl acetate6.481*
methyl tert-butyl ether6.481*
methylcyclohexane0.644 
N-ethylacetamide6.481*
N-ethylformamide6.481*
N-formylmorpholine6.481*
N-methyl-2-piperidone6.481*
N-methylacetamide6.481*
N-methylformamide6.481*
N-methylpyrrolidinone6.481*
nitrobenzene4.882 
nitromethane3.164 
nonane0.237 
o-xylene1.878 
octadecanol6.481*
octane0.234 
p-xylene1.682 
peanut oil2.680 
pentane0.194 
propylene carbonate3.152 
sulfolane6.481*
THF6.481*
toluene1.970 
tributyl phosphate6.481*
trifluoroethanol6.481*
undecane0.216 
water0.151
*Miscible. Water solubility prediciton provided by VCC labs.