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:72
Name:1,5,9-Cyclododecatriene,(E,E,Z)
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8-

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
357

experimental value

367.91

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