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:130
Name:3,5-dimethyl-3-hexanol
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C8H18O/c1-5-8(4,9)6-7(2)3/h7,9H,5-6H2,1-4H3

Properties

FP: Flash point [K]

ValueSource or prediction
149

experimental value

156.49

Tab3Tab4: ANFIS model for alcohols (Validation set)

157.11

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