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:369
Name:3-Hexene, (E)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
246

experimental value

270.02

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