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:1
Name:1,1'-Bi(cyclohexyl)-2-one
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
391

experimental value

375.73

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

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