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Author(s):   Notario, R.; Quijano, J.; León, L. A.; Sánchez, C.; Quijano, J. C.; Alarcón, G.; Chamorro, E.; Chuchani, G.
Title:   Theoretical study of the gas-phase decomposition of neutral -amino acid ethyl esters. Part 2 - Elimination of ethyl picolinate and ethyl 1-methylpipecolinate
Journal:   J. Phys. Org. Chem.
Volume:   16
Page(s):   166 - 174
Year:   2003
Reference type:   Journal article
Squib:   2003NOT/QUI166-174

Reaction:   2-Pyridinecarboxylic acid ethyl esterC2H4 + Pyridine + CO2
Reaction order:   1
Temperature:   350 - 414 K
Pressure:  2.00E-2 - 0.11 bar
Rate expression:   2.45x1012 [±2.17x1012 s-1] e-194600 [±7500 J/mole]/RT
Category:  Experiment
Data type:   Absolute value measured directly
Pressure dependence:   None reported
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Thermal
Time resolution:   In real time
Analytical technique:   Pressure measurement
Comments:  
Parameters are recalculated from experimental data previously reported by authors (La Font et al., J. Phys. Org. Chem., 16, 84-88, 2003) after removal of one experimental point which had a large deviation. Details not specified.

The authors suggest decomposition proceeds via a two step mechanism with an initial molecular elimination reaction to give ethene and 2-pyridinecarboxylic acid (picolinic acid) followed by rapid decomposition of the latter compound to pyridine and CO2.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
350 2.10E-17
350 2.22E-17
375 1.92E-15
400 9.50E-14
414 6.96E-13