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:147
Name:4-octanol
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
174

experimental value

171.72

Tab3Tab4: ANFIS model for alcohols (Validation set)

174.17

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