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:10
Name:p-tert-butylcatechol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
266

experimental value

259.96

Tab3Tab4: ANFIS model for alcohols (Training set)

293.40

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

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