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Author(s):   Altarawneh, M.; Altarawneh, K.
Title:   A theoretical study on the bimolecular reactions encountered in the pyrolysis of acetamide
Journal:   J. Phys. Org. Chem.
Volume:   25
Page(s):   431 - 436
Year:   2012
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2012ALT/ALT431-436

Reaction:   CH3C(OH)NH + CH3CONH2 → CH3C(O)NHC(O)H + NH3
Reaction order:   2
Temperature:   300 - 2000 K
Rate expression:   1.2x10-12 [cm3/molecule s] e-81588 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
300 7.48E-27
400 2.66E-23
500 3.60E-21
600 9.48E-20
700 9.80E-19
800 5.65E-18
900 2.21E-17
1000 6.57E-17
1100 1.60E-16
1200 3.37E-16
1300 6.33E-16
1400 1.08E-15
1500 1.73E-15
1600 2.61E-15
1700 3.74E-15
1800 5.15E-15
1900 6.86E-15
2000 8.88E-15