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:37
Name:3,7-dimethyl-3-octanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3

Properties

FP: Flash point [K]

ValueSource or prediction
194

experimental value

199.35

Tab3Tab4: ANFIS model for alcohols (Training set)

195.37

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

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