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:1062
Name:Propane, 2-(1,1-dimethylethoxy)-1-[2-(1,1-dimethylethoxy)-1-methylethoxy]-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C14H30O3/c1-11(10-16-13(3,4)5)15-9-12(2)17-14(6,7)8/h11-12H,9-10H2,1-8H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
395.482

experimental value

365.2

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