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:72
Name:Heptane, 2,6-dimethyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H20/c1-8(2)6-5-7-9(3)4/h8-9H,5-7H2,1-4H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.4

experimental value

6.11

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

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