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:584
Name:Benzene, 1,1',1''-(1-ethanyl-2-ylidene)tris-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C20H18/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
445

experimental value

471.59

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

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