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:350
Name:2-Propenoic acid, 3-phenyl-, (E)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
443

experimental value

423

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

Links to External Resources