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:21
Name:1,2-Benzenedicarboxylic acid, dibutyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
448

experimental value

461.91

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

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