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:129
Name:1-Hexanol, 2-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
333

experimental value

338.33

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