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:233
Name:Benzene, 1-(1,1-dimethylethyl)-4-ethenyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
6.1

experimental value

5.57

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

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