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:7
Name:1,1'-(1,2-Ethanediyl)bis(4-ethyl-)benzene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C18H22/c1-3-15-5-9-17(10-6-15)13-14-18-11-7-16(4-2)8-12-18/h5-12H,3-4,13-14H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
409

experimental value

425.04

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