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:73
Name:3-methyl-2-heptanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C8H18O/c1-4-5-6-7(2)8(3)9/h7-9H,4-6H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
164

experimental value

167.15

Tab3Tab4: ANFIS model for alcohols (Training set)

168.96

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