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-dichloroethane5.956*
1,4-dioxane5.956*
1-butanol5.956*
1-chlorobutane5.643 
1-decanol5.956*
1-heptanol5.956*
1-hexadecene0.627 
1-hexanol5.956*
1-octanol5.956*
1-pentanol5.956*
1-propanol5.956*
2,2,4-trimethylpentane0.695 
2-butanol5.956*
2-methyl-1-propanol5.956*
2-methyl-2-propanol5.956*
2-pentanol5.956*
2-propanol5.956*
3-methyl-1-butanol5.956*
acetone5.956*
acetonitrile5.198 
benzene5.956*
benzonitrile5.956*
bromobenzene5.956*
butanone5.956*
butyl acetate5.956*
carbon disulfide1.559 
carbon tetrachloride4.649 
chlorobenzene5.956*
chloroform5.956*
cyclohexane0.879 
cyclohexanone5.956*
decane0.618 
dibutyl ether3.368 
SoluteSolubility (M)
dibutylformamide5.956*
dichloromethane5.956*
diethyl ether5.956*
diethylacetamide5.956*
diisopropyl ether5.956*
dimethylacetamide5.956*
DMF5.956*
DMSO5.956*
dodecane0.497 
ethanol5.956*
ethanol/water(10:90)vol0.173 
ethanol/water(20:80)vol0.293 
ethanol/water(30:70)vol0.597 
ethanol/water(40:60)vol1.363 
ethanol/water(50:50)vol3.230 
ethanol/water(60:40)vol5.956*
ethanol/water(70:30)vol5.956*
ethanol/water(80:20)vol5.956*
ethanol/water(90:10)vol5.956*
ethyl acetate5.956*
ethylbenzene4.695 
ethylene glycol4.506 
fluorobenzene5.956*
formamide2.009 
heptane0.735 
hexadecane0.564 
hexane0.746 
iodobenzene5.956*
isopropyl myristate2.349 
m-xylene5.030 
methanol5.956*
methyl acetate5.956*
methyl tert-butyl ether5.956*
methylcyclohexane1.950 
N-ethylacetamide5.956*
N-ethylformamide5.956*
N-formylmorpholine5.956*
N-methyl-2-piperidone5.956*
N-methylacetamide5.956*
N-methylformamide5.956*
N-methylpyrrolidinone5.956*
nitrobenzene5.956*
nitromethane5.956*
nonane0.715 
o-xylene5.308 
octadecanol5.956*
octane0.659 
p-xylene4.972 
peanut oil1.418 
pentane0.655 
propylene carbonate4.215 
sulfolane4.170 
THF5.956*
toluene5.956*
tributyl phosphate5.956*
trifluoroethanol5.956*
undecane0.596 
water0.110
*Miscible. Water solubility prediciton provided by VCC labs.