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:503
Name:Benzene, 1,2,4-trimethyl-3-ethyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C11H16/c1-5-11-9(3)7-6-8(2)10(11)4/h6-7H,5H2,1-4H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
346

experimental value

342.63

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