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:434
Name:Butanoic acid, 3-methyl-, 3-methylbutyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
6.9

experimental value

7.29

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

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