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:418
Name:Acetic acid, 2-methylpropyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
10.5

experimental value

9.74

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

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