10967/197 - QDB Compounds

QsarDB Repository

Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.

Compound

ID:763
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

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
8.62

experimental value

8.86

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