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:24
Name:3,3-dimethyl-2-butanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3

Properties

FP: Flash point [K]

ValueSource or prediction
115

experimental value

107.26

Tab3Tab4: ANFIS model for alcohols (Training set)

109.25

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