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Author(s):   Mebel, A.M.; Lin, M.C.
Title:   Prediction of absolute rate constants for the reactions of NH2 with alkanes from ab initio G2M/TST calculations
Journal:   J. Phys. Chem. A
Volume:   103
Page(s):   2088 - 2096
Year:   1999
Reference type:   Journal article
Squib:   1999MEB/LIN2088-2096

Reaction:   iso-C4H10 + ·NH2iso-C4H9 + NH3
Reaction order:   2
Temperature:   300 - 2000 K
Rate expression:   1.45x10-14 [cm3/molecule s] (T/298 K)3.61 e-27770 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
300 2.17E-19
400 9.90E-18
500 1.18E-16
600 6.92E-16
700 2.67E-15
800 7.86E-15
900 1.91E-14
1000 4.05E-14
1100 7.75E-14
1200 1.37E-13
1300 2.26E-13
1400 3.55E-13
1500 5.33E-13
1600 7.74E-13
1700 1.09E-12
1800 1.49E-12
1900 2.00E-12
2000 2.63E-12