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:1029
Name:Phenol, 4-(1,1,3,3-tetramethylbutyl)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
408

experimental value

379.64

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

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