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:836
Name:Heptane, 2,2-dimethyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
287

experimental value

281.94

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

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