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:255
Name:2-Butenenitrile, (E)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
297

experimental value

287.86

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