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:80
Name:3-methyl-2-pentanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
130

experimental value

121.09

Tab3Tab4: ANFIS model for alcohols (Training set)

121.83

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