10967/196 - QDB Compounds

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Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.

Compound

ID:521
Name:Benzene, 1,4-bis(1-methylethyl)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
346

experimental value

357.73

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

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