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:71
Name:3-methyl-2-butanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
103

experimental value

98.747

Tab3Tab4: ANFIS model for alcohols (Training set)

95.52

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