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:200
Name:Benzene, octyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
4.9

experimental value

5.32

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

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