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:89
Name:3-methyl-3-octanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
187

experimental value

173.33

Tab3Tab4: ANFIS model for alcohols (Training set)

180.84

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