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:403
Name:9-Octadecenoic acid (Z)-, methyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
451

experimental value

434.25

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

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