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:1106
Name:Propanol, (2-(1,1-dimethylethoxy)methylethoxy)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H22O3/c1-10(2,3)13-9-5-8-12-7-4-6-11/h11H,4-9H2,1-3H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
393

experimental value

389.27

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