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:112
Name:1H-Azepine, hexahydro-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
307

experimental value

310.39

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

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