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:481
Name:Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
415

experimental value

418.51

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

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