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:890
Name:Hydroperoxide,1-methyl-1-(4-methylcyclohexyl)ethyl
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H20O2/c1-8-4-6-9(7-5-8)10(2,3)12-11/h8-9,11H,4-7H2,1-3H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
406

experimental value

387.84

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