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:554
Name:1-tert-Butyl-4-ethylbenzene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H18/c1-5-10-6-8-11(9-7-10)12(2,3)4/h6-9H,5H2,1-4H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
345

experimental value

345.41

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

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