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:337
Name:2-Propenoic acid, 2-carboxyethyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H8O4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H,7,8)

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
419

experimental value

413.25

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

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