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:136
Name:2-hexadecanol
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C16H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16-17H,3-15H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
300

experimental value

298.87

Tab3Tab4: ANFIS model for alcohols (Validation set)

287.61

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