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:146
Name:2-nonanol
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
179

experimental value

195.28

Tab3Tab4: ANFIS model for alcohols (Validation set)

193.42

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