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:1111
Name:Pyrene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
472

experimental value

448.18

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

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