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:786
Name:Ethanol, 2-[(1-methyl-2-propenyl)oxy]-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H12O2/c1-3-6(2)8-5-4-7/h3,6-7H,1,4-5H2,2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
328

experimental value

352.26

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