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:379
Name:1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
9.7

experimental value

12.16

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

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