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:86
Name:4-methyl-3-hexanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C7H16O/c1-4-6(3)7(8)5-2/h6-8H,4-5H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
146

experimental value

148.88

Tab3Tab4: ANFIS model for alcohols (Training set)

147.74

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