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:579
Name:Benzene, pentyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
344

experimental value

339.29

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

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