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:612
Name:Benzoic acid, phenylmethyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
432

experimental value

427.18

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

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