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:648
Name:Butanedioic acid, hydroxy-(+-)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
508

experimental value

512.88

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