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:26
Name:2,3-dimethyl-2-pentanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C7H16O/c1-5-6(2)7(3,4)8/h6,8H,5H2,1-4H3

Properties

FP: Flash point [K]

ValueSource or prediction
135

experimental value

138.67

Tab3Tab4: ANFIS model for alcohols (Training set)

134.17

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