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:131
Name:2,2-dimethyl-3-pentanol
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3

Properties

FP: Flash point [K]

ValueSource or prediction
132

experimental value

134.9

Tab3Tab4: ANFIS model for alcohols (Validation set)

132.32

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

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