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:48
Name:6-ethyl-3-octanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C10H22O/c1-4-9(5-2)7-8-10(11)6-3/h9-11H,4-8H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
197

experimental value

192.18

Tab3Tab4: ANFIS model for alcohols (Training set)

201.83

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