10967/197 - QDB Compounds

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Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.

Compound

ID:378
Name:1,3-Propanediol, 2,2-bis(hydroxymethyl)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
12.5

experimental value

14.49

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

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