10967/196 - QDB Compounds

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Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.

Compound

ID:587
Name:Benzeneacetic acid, 4-methoxy-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
435

experimental value

424.72

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

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