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:842
Name:Heptane, 4-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
279

experimental value

273.61

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

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