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:20
Name:1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
434

experimental value

444.32

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

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