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:47
Name:4-ethyl-3-hexanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C8H18O/c1-4-7(5-2)8(9)6-3/h7-9H,4-6H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
161

experimental value

166.38

Tab3Tab4: ANFIS model for alcohols (Training set)

167.47

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