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:338
Name:2-Propenoic acid, 2-ethylhexyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
352

experimental value

353.9

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

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