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Author(s):   Mereau, R.; Rayez, M.-T.; Caralp, F.; Rayez, J.-C.
Title:   Theoretical Study of Alkoxyl Radical Decomposition Reactions: Structure-Activity Relationships
Journal:   Phys. Chem. Chem. Phys.
Page(s):   3765 - 3772
Year:   2000
Reference type:   Journal article
Squib:   2000MER/RAY3765-3772

Reaction:   CH3CH2C(CH3)2O(·) → C2H5COCH3 + ·CH3
Reaction order:   1
Temperature:   298 K
Pressure:  1.01 bar
Rate expression:   1.1x104 [s-1]
Category:  Experiment
Data type:   RRK(M) extrapolation
Comments:   This relationship has been parametrized, using quantum chemistry ab initio BAC-MP4 and density functional theory calculated activation energies and reaction enthalpies.

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