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:881
Name:Hexanoic acid, 2-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
367.58

experimental value

360.66

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

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