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:67
Name:1,4-Cyclohexane dicarboxylic acid dimethyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
399

experimental value

395.3

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