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:653
Name:Butanoic acid, 2-ethyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
356

experimental value

351.58

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

Links to External Resources