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:77
Name:2-methyl-2-nonanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C10H22O/c1-4-5-6-7-8-9-10(2,3)11/h11H,4-9H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
212

experimental value

198.78

Tab3Tab4: ANFIS model for alcohols (Training set)

199.67

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

Links to External Resources