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:128
Name:3,4-dimethyl-2-hexanol
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C8H18O/c1-5-6(2)7(3)8(4)9/h6-9H,5H2,1-4H3

Properties

FP: Flash point [K]

ValueSource or prediction
169

experimental value
160.21

Tab3Tab4: ANFIS model for alcohols (Validation set)
160.64

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