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:335
Name:2-Propenoic acid, 2-methyl-, 2-hydroxypropyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
372

experimental value

378.71

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

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