10967/196 - QDB Compounds

QsarDB Repository

Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.

Compound

ID:518
Name:Benzene, 1,3-diisocyanato-2-methyl
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
388

experimental value

406.78

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