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:57
Name:1,3-Propanediol, 2-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
385

experimental value

370.71

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

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