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:390
Name:1,4-Cyclohexanedicarboxylic acid, trans-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
8.22

experimental value

9.4

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