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:108
Name:4-propyl-4-heptanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C10H22O/c1-4-7-10(11,8-5-2)9-6-3/h11H,4-9H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
192

experimental value

189.05

Tab3Tab4: ANFIS model for alcohols (Training set)

198.41

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

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