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:919
Name:Naphthalene, 1-hexyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H20/c1-2-3-4-5-9-14-11-8-12-15-10-6-7-13-16(14)15/h6-8,10-13H,2-5,9H2,1H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
425

experimental value

410

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

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