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:823
Name:Benzene, 1-nitro-3-(trifluoromethyl)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
9

experimental value

10.62

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

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