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:545
Name:Benzene, 1-methyl-3-(1-methylethoxy)
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H14O/c1-8(2)11-10-6-4-5-9(3)7-10/h4-8H,1-3H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
358

experimental value

342.46

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