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:531
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

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
374

experimental value

351.65

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