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:35
Name:2,2-dimethyl-3-octanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C10H22O/c1-5-6-7-8-9(11)10(2,3)4/h9,11H,5-8H2,1-4H3

Properties

FP: Flash point [K]

ValueSource or prediction
192

experimental value

188.54

Tab3Tab4: ANFIS model for alcohols (Training set)

193.66

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