10967/197 - QDB Compounds

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Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.

Compound

ID:822
Name:Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
10.1

experimental value

11.44

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

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