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:23
Name:1,2-Benzenedicarboxylic acid, diheptyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
487

experimental value

518.85

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

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