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:914
Name:Naphthalene, 1,5-diisocyanato-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
450

experimental value

451.53

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

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