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:151
Name:2,3,3-trimethyl-2-butanol
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3

Properties

FP: Flash point [K]

ValueSource or prediction
127

experimental value

129.33

Tab3Tab4: ANFIS model for alcohols (Validation set)

123.28

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

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