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:252
Name:2-Butenedioic acid, dibutyl ester, (2Z)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
414

experimental value

409.93

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

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