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:682
Name:Cyclohexane, isocyanato-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
330

experimental value

334.69

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

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