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:61
Name:3-hexanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
131

experimental value

131.07

Tab3Tab4: ANFIS model for alcohols (Training set)

130.81

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