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:32
Name:2,5-dimethyl-3-hexanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C8H18O/c1-6(2)5-8(9)7(3)4/h6-9H,5H2,1-4H3

Properties

FP: Flash point [K]

ValueSource or prediction
156

experimental value

159

Tab3Tab4: ANFIS model for alcohols (Training set)

159.08

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