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:83
Name:3-methyl-3-heptanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
158

experimental value

161.32

Tab3Tab4: ANFIS model for alcohols (Training set)

161.50

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