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:199
Name:Benzene, hexyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.3

experimental value

6.19

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

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