10967/197 - QDB Compounds

QsarDB Repository

Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.

Compound

ID:819
Name:Pentanoic acid, 4-oxo
Description:
Labels:
CAS:
InChi Code:InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
10.6

experimental value

10.38

Eq.1: Model for diverse and pure compounds (Training set)