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:943
Name:Nonanoic acid, butyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C13H26O2/c1-3-5-7-8-9-10-11-13(14)15-12-6-4-2/h3-12H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
365

experimental value

366.03

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

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