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:106
Name:1,3-propanediol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2

Properties

FP: Flash point [K]

ValueSource or prediction
251

experimental value

248.95

Tab3Tab4: ANFIS model for alcohols (Training set)

223.60

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

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