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:74
Name:2-methyl-2-hexanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
139

experimental value

140.46

Tab3Tab4: ANFIS model for alcohols (Training set)

140.01

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