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:736
Name:Eicosanic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
492

experimental value

496.07

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