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:150
Name:1-tridecanol
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3

Properties

FP: Flash point [K]

ValueSource or prediction
273

experimental value

274.74

Tab3Tab4: ANFIS model for alcohols (Validation set)

256.93

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

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