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:1108
Name:Propanol, [2-(2-ethoxymethylethoxy)-methylethoxy]-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C11H24O4/c1-3-13-6-4-7-14-8-5-9-15-11(2)10-12/h11-12H,3-10H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
406.32

experimental value

423.64

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