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:64
Name:1,4-Benzenedicarboxylic acid, dioctyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C24H38O4/c1-3-5-7-9-11-13-19-27-23(25)21-15-17-22(18-16-21)24(26)28-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
505

experimental value

539.29

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

Links to External Resources