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:126
Name:2,2-dimethyl-1-butanol
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
133

experimental value

117.31

Tab3Tab4: ANFIS model for alcohols (Validation set)

118.22

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

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