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:469
Name:Benzene, (1-methyl-1-propenyl)-,(E)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h3-8H,1-2H3/b9-3+

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
336

experimental value

337.83

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