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:229
Name:Benzene, 1-ethenyl-4-(2-methylpropyl)
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H16/c1-4-11-5-7-12(8-6-11)9-10(2)3/h4-8,10H,1,9H2,2-3H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.7

experimental value

5.37

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