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:223
Name:2,4-Pentanediol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
370

experimental value

394.14

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

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