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:1107
Name:Propanol, (2-methoxy-methylethoxy)-, acetate-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H18O4/c1-7(5-11-4)12-6-8(2)13-9(3)10/h7-8H,5-6H2,1-4H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
356

experimental value

349.54

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