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:5
Name:(3E)-1,3-Pentadiene, 2-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4+

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
253

experimental value

267.63

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