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:865
Name:Benzoic acid, 4-methyl-, methyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
9.5

experimental value

7.7

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

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