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Methyl isocyanide

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Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

C2H2N- + Hydrogen cation = Methyl isocyanide

By formula: C2H2N- + H+ = C2H3N

Quantity Value Units Method Reference Comment
Deltar1592. ± 8.8kJ/molG+TSMatimba, Crabbendam, et al., 1992gas phase; B
Deltar1567. ± 8.8kJ/molG+TSFilley, DePuy, et al., 1987gas phase; Matimba, Crabbendam, et al., 1992 indicate that CN- loss interfered with equilibrium here.; B
Quantity Value Units Method Reference Comment
Deltar1561. ± 8.4kJ/molIMREMatimba, Crabbendam, et al., 1992gas phase; B
Deltar1536. ± 8.4kJ/molIMREFilley, DePuy, et al., 1987gas phase; Matimba, Crabbendam, et al., 1992 indicate that CN- loss interfered with equilibrium here.; B

Methyl isocyanide = Acetonitrile

By formula: C2H3N = C2H3N

Quantity Value Units Method Reference Comment
Deltar-99.16 ± 0.59kJ/molCmBaghal-Vayjooee, Collister, et al., 1977gas phase; Heat of isomerization; ALS

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Matimba, Crabbendam, et al., 1992
Matimba, H.E.K.; Crabbendam, A.M.; Ingemann, S.; Nibbering, N.M.M., Gas-phase Bimolecular Chemistry of the .-CHNC and .-CHCN Radical Anions, Int. J. Mass Spectrom. Ion Proc., 1992, 114, 1-2, 85, https://doi.org/10.1016/0168-1176(92)85024-T . [all data]

Filley, DePuy, et al., 1987
Filley, J.; DePuy, C.H.; Bierbaum, V.M., Gas-Phase Negative Ion Chemistry of Methyl Isocyanide, J. Am. Chem. Soc., 1987, 109, 20, 5992, https://doi.org/10.1021/ja00254a017 . [all data]

Baghal-Vayjooee, Collister, et al., 1977
Baghal-Vayjooee, M.H.; Collister, J.L.; Pritchard, H.O., The enthalpy of isomerisation of methyl isocyanide, Can. J. Chem., 1977, 55, 2634-2636. [all data]


Notes

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