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:389
Name:Hexanoic acid, 2-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
8

experimental value

8.18

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

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