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:128
Name:1-Hexanol, 2-ethyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
346

experimental value

348.6

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

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