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:133
Name:3-ethyl-3-heptanol
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C9H20O/c1-4-7-8-9(10,5-2)6-3/h10H,4-8H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
180

experimental value

173.33

Tab3Tab4: ANFIS model for alcohols (Validation set)

180.84

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