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:110
Name:2-tetradecanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C14H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h14-15H,3-13H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
275

experimental value

275.88

Tab3Tab4: ANFIS model for alcohols (Training set)

264.75

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