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:16
Name:5-decanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C10H22O/c1-3-5-7-9-10(11)8-6-4-2/h10-11H,3-9H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
199

experimental value

208.58

Tab3Tab4: ANFIS model for alcohols (Training set)

208.50

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