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:654
Name:Butanoic acid, 2-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
347

experimental value

338.57

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

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