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:539
Name:Benzene, 1-ethyl-4-(2 phenylethyl)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H18/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
403

experimental value

415.54

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