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:853
Name:Hexanal, 2-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H14O/c1-3-4-5-7(2)6-8/h6-7H,3-5H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
306

experimental value

295.15

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