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Author(s):   Batiha, M.; Altarawneh, M.; Alsofi, A.; Al-Harahsheh, M.; Altarawneh, I.; Alrawadieh, S.
Title:   Theoretical study on the reaction of hydrogen atoms with aniline
Journal:   Theor. Chem. Acct.
Volume:   129
Page(s):   823 - 832
Year:   2011
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2011BAT/ALT823-832

Associated entries:

Search Results


Rate expression:  k(T) = A (T/298 K)n e-Ea/RT
Rate expression units:
First order:  s-1
Second order:  cm3/molecule s
Third order:  cm6/molecule2 s
R = 8.314472 J / mole K
Energy Units J   Molecular Units Molecule
Pressure Units bar   Temperature Units K
Base Volume Unit cm   Reference Temperature 298.0
Evaluation Temperature 298.0

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| |
Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
  2011BAT/ALT823-832   aniline + → o-(C6H5NH2)H  300 - 2000   8.41E-12   1.55   1.50E04      2
  2011BAT/ALT823-832   aniline + → m-(C6H5NH2)H  300 - 2000   7.22E-12   1.62   1.83E04      2
  2011BAT/ALT823-832   aniline + → p-(C6H5NH2)H  300 - 2000   3.82E-12   1.58   1.66E04      2
  2011BAT/ALT823-832   aniline + → ipso-(C6H5NH2)H  300 - 2000   1.27E-12   1.74   4.99E04      2
  2011BAT/ALT823-832   aniline + H2 + Phenyl amidogen  300 - 2000   2.39E-11   1.08   3.49E04      2
  2011BAT/ALT823-832   H2 + Phenyl amidogenaniline +   300 - 2000   6.72E-14   2.08   8.23E04      2
  2011BAT/ALT823-832   o-(C6H5NH2)H → aniline +   300 - 2000   5.79E12   1.10   1.21E05      1
  2011BAT/ALT823-832   m-(C6H5NH2)H → aniline +   300 - 2000   4.45E12   1.16   1.25E05      1
  2011BAT/ALT823-832   p-(C6H5NH2)H → aniline +   300 - 2000   2.63E12   1.10   1.12E05      1
  2011BAT/ALT823-832   ipso-(C6H5NH2)H → aniline +   300 - 2000   9.64E11   1.29   8.23E04      1
  2011BAT/ALT823-832   ipso-(C6H5NH2)H → Benzene + NH2  300 - 2000   1.19E13   -0.66   8.07E04      1
  2011BAT/ALT823-832   Benzene + NH2 → ipso-(C6H5NH2)H  300 - 2000   1.88E-14   1.76   5.57E04      2
  2011BAT/ALT823-832   Benzene + NH2Phenyl + NH3  300 - 2000   1.60E-13   3.28   5.24E04      2
  2011BAT/ALT823-832   Phenyl + NH3Benzene + NH2  300 - 2000   1.52E-14   3.10   3.33E04      2
  2011BAT/ALT823-832   aniline + → ipso-(C6H5NH2)H  300 - 2000   4.75E-11       3.91E04      2
  2011BAT/ALT823-832   Toluene + → ipso-C7H9  300 - 2000   6.04E-13   1.64   2.33E04      2
  2011BAT/ALT823-832   Phenol + → C6H6-OH  300 - 2000   1.67E-12   1.76   3.08E04      2
  2011BAT/ALT823-832   C6H6-OH → Phenol +   300 - 2000   2.30E13   0.25   6.57E04      1
  2011BAT/ALT823-832   ipso-C7H9Toluene +   300 - 2000   3.72E13   0.61   9.81E04      1
  2011BAT/ALT823-832   ipso-C7H9Benzene + ·CH3  300 - 2000   3.31E12   1.14   1.08E05      1
  2011BAT/ALT823-832   C6H6-OH → Benzene + ·OH  300 - 2000   1.10E12   1.27   9.40E04      1

Search returned 21 records.