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:609
Name:Benzoic acid, butyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
379

experimental value

370.56

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

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