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:95
Name:cis-3-methylcyclohexanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+/m1/s1

Properties

FP: Flash point [K]

ValueSource or prediction
147

experimental value

153.57

Tab3Tab4: ANFIS model for alcohols (Training set)

154.40

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