10967/160 - QDB Compounds

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Khajeh, A.; Modarress, H. Quantitative Structure–Property Relationship for Flash Points of Alcohols. Ind. Eng. Chem. Res. 2011, 50, 11337-11342.

Compound

ID:56
Name:4-heptanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
152

experimental value

151.72

Tab3Tab4: ANFIS model for alcohols (Training set)

152.68

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

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