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:152
Name:1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
7.1

experimental value

6.43

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

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