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:421
Name:Acetic acid, cyano-, methyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
372

experimental value

338.26

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

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