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Author(s):   Chow, J.M.; Miller, A.M.; Elrod, M.J.
Title:   Kinetics of the C3H7O2 + NO Reaction: Temperature Dependence of the Overall Rate Constant and the i-C3H7ONO2 Branching Channel
Journal:   J. Phys. Chem. A
Volume:   107
Page(s):   3040 - 3047
Year:   2003
Reference type:   Journal article
Squib:   2003CHO/MIL3040-3047

Reaction:   (CH3)2CHO2 + NO(CH3)2CHONO2
Reaction order:   2
Temperature:   213 - 298 K
Pressure:  0.13 bar
Rate expression:   4.9x10-16 [±2.9x10-16 cm3/molecule s] e11474 [±1912 J/mole]/RT
Category:  Experiment
Data type:   Derived from fitting to a complex mechanism
Pressure dependence:   None reported
Experimental procedure:   Turbulent flow tube - Data taken vs distance
Excitation technique:   Discharge
Time resolution:   By end product analysis
Analytical technique:   Mass spectrometry
Comments:   Measured rate constants for reaction of C3H7O2 with NO to C3H7O + NO2. In this work, the rate constant reported is for unspecified amount of both n-C3H7O2 and iso-C3H7O2. Prior work by others indicate that the rate constants are relatively the same for both isomers. In addition, in this work the rate of reaction of i-C3H7O2 + NO -> i-C3H7O2NO was measured. Temperature range was 213-298 K. Pressure 100 torr N2. Measurements in a turbulent fast flow reactor. C3H7O2 species were produced by C3H8 + Cl -> C3H7 + HCl plus C3H7 + O2 -> C3H7 + O2. Cl was produced by microwave discharge from Cl2. Product distributions detected with a MS. Rate constant for CC3H7O + NO2 product channel was directly measured, while for formation of C3H7O2NO was derived from a model involving a number of different steps.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
213 3.19E-13
225 2.26E-13
250 1.22E-13
275 7.41E-14
298 5.03E-14