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:47
Name:1,3-Cyclohexadiene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
257

experimental value

293.89

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