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:54
Name:2-heptanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
160

experimental value

155.13

Tab3Tab4: ANFIS model for alcohols (Training set)

155.43

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

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