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:664
Name:Benzene, 1-ethyl-2-(1-methyl ethyl)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C11H16/c1-4-10-7-5-6-8-11(10)9(2)3/h5-9H,4H2,1-3H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
4.7

experimental value

5

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