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:5
Name:1,2,3-benzenetriol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H

Properties

FP: Flash point [K]

ValueSource or prediction
365

experimental value

378.57

Tab3Tab4: ANFIS model for alcohols (Training set)

378.99

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

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