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:491
Name:Benzene, 1,1'-methylenebis[4-isocyanato-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
464

experimental value

461.28

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

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