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:843
Name:Heptanedioic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
487

experimental value

477.17

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

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