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:433
Name:Propanoic acid, 2-methyl-, 2-methylpropyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
7.59

experimental value

8.67

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

Links to External Resources