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:58
Name:1,6-hexanediol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2

Properties

FP: Flash point [K]

ValueSource or prediction
210

experimental value

220.8

Tab3Tab4: ANFIS model for alcohols (Training set)

263.38

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

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