10967/160 - QDB Compounds

QsarDB Repository

Khajeh, A.; Modarress, H. Quantitative Structure–Property Relationship for Flash Points of Alcohols. Ind. Eng. Chem. Res. 2011, 50, 11337-11342.

Compound

ID:1
Name:3-amino-1-propanol
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2

Properties

FP: Flash point [K]

ValueSource or prediction
175

experimental value

184.96

Tab3Tab4: ANFIS model for alcohols (Training set)

223.11

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

Links to External Resources