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:47
Name:Octane, 3-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H20/c1-4-6-7-8-9(3)5-2/h9H,4-8H2,1-3H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
6.8

experimental value

5.9

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

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