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:148
Name:2-phenyl-2-propanol
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
174

experimental value

179.1

Tab3Tab4: ANFIS model for alcohols (Validation set)

183.87

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

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