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:336
Name:2-Propenoic acid, 2 methyl-2-hydroxyethyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3,5,7H,1,4H2,2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
373

experimental value

366.17

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