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:480
Name:Benzene, 1-(1,1-dimethylethyl)-4-ethenyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
353

experimental value

345

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

Links to External Resources