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:414
Name:Acetic acid, 2-ethylhexyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
341

experimental value

339.58

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

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