10967/160 - QDB Compounds

QsarDB Repository

Khajeh, A.; Modarress, H. Quantitative Structure–Property Relationship for Flash Points of Alcohols. Ind. Eng. Chem. Res. 2011, 50, 11337-11342.

Compound

ID:75
Name:3-methyl-2-hexanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C7H16O/c1-4-5-6(2)7(3)8/h6-8H,4-5H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
149

experimental value

144.41

Tab3Tab4: ANFIS model for alcohols (Training set)

144.99

Eq12: GFA-MLR model for alcohols (Training set)