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:7
Name:1,4-butanediol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2

Properties

FP: Flash point [K]

ValueSource or prediction
273

experimental value

288.16

Tab3Tab4: ANFIS model for alcohols (Training set)

295.66

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

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