10967/196 - QDB Compounds

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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:19
Name:1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
481

experimental value

521.96

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

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