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-dichloroethane4.591*
1,4-dioxane4.591*
1-butanol4.591*
1-chlorobutane4.591*
1-decanol4.591*
1-heptanol4.591*
1-hexadecene3.020 
1-hexanol4.591*
1-octanol4.591*
1-pentanol4.591*
1-propanol4.591*
2,2,4-trimethylpentane3.658 
2-butanol4.591*
2-methyl-1-propanol4.591*
2-methyl-2-propanol4.591*
2-pentanol4.591*
2-propanol4.591*
3-methyl-1-butanol4.591*
acetone4.591*
acetonitrile4.591*
benzene4.591*
benzonitrile4.591*
bromobenzene4.591*
butanone4.591*
butyl acetate4.591*
carbon disulfide4.591*
carbon tetrachloride4.591*
chlorobenzene4.591*
chloroform4.591*
cyclohexane4.591*
cyclohexanone4.591*
decane3.474 
dibutyl ether4.591*
SoluteSolubility (M)
dibutylformamide4.591*
dichloromethane4.591*
diethyl ether4.591*
diethylacetamide4.591*
diisopropyl ether4.591*
dimethylacetamide4.591*
DMF4.591*
DMSO4.591*
dodecane2.722 
ethanol4.591*
ethanol/water(10:90)vol0.021 
ethanol/water(20:80)vol0.054 
ethanol/water(30:70)vol0.175 
ethanol/water(40:60)vol0.641 
ethanol/water(50:50)vol2.438 
ethanol/water(60:40)vol4.591*
ethanol/water(70:30)vol4.591*
ethanol/water(80:20)vol4.591*
ethanol/water(90:10)vol4.591*
ethyl acetate4.591*
ethylbenzene4.591*
ethylene glycol4.586 
fluorobenzene4.591*
formamide1.417 
heptane4.199 
hexadecane3.026 
hexane4.157 
iodobenzene4.591*
isopropyl myristate4.591*
m-xylene4.591*
methanol4.591*
methyl acetate4.591*
methyl tert-butyl ether4.591*
methylcyclohexane4.591*
N-ethylacetamide4.591*
N-ethylformamide4.591*
N-formylmorpholine4.591*
N-methyl-2-piperidone4.591*
N-methylacetamide4.591*
N-methylformamide4.591*
N-methylpyrrolidinone4.591*
nitrobenzene4.591*
nitromethane4.591*
nonane4.054 
o-xylene4.591*
octadecanol4.591*
octane3.837 
p-xylene4.591*
peanut oil2.795 
pentane3.763 
propylene carbonate4.591*
sulfolane4.591*
THF4.591*
toluene4.591*
tributyl phosphate4.591*
trifluoroethanol4.591*
undecane3.814 
water0.009
*Miscible. Water solubility prediciton provided by VCC labs.