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:840
Name:Heptane, 3-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
280

experimental value

277.55

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