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:66
Name:1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
327

experimental value

336.72

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

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