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:699
Name:Benzene, 4-methyl-1,2-dinitro-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
8.2

experimental value

8.77

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

Links to External Resources