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:388
Name:4-Hydroxymethyl-benzoic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
495

experimental value

479.1

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