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Acetonitrile

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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:
MS - José A. Martinho Simões
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Reactions 151 to 188

C7H3NO5W (cr) + Carbon monoxide (g) = Tungsten hexacarbonyl (g) + Acetonitrile (g)

By formula: C7H3NO5W (cr) + CO (g) = C6O6W (g) + C2H3N (g)

Quantity Value Units Method Reference Comment
Deltar70.7 ± 2.5kJ/molDSCBleijerveld and Vrieze, 1976Please also see Bleyerveld, Höhle, et al., 1975.; MS

C6H4NO3- + Acetonitrile = (C6H4NO3- bullet Acetonitrile)

By formula: C6H4NO3- + C2H3N = (C6H4NO3- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar27. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C17H24F3N3O3RuS (solution) + Biphenyl (solution) = C23H25F3O3RuS (solution) + 3Acetonitrile (solution)

By formula: C17H24F3N3O3RuS (solution) + C12H10 (solution) = C23H25F3O3RuS (solution) + 3C2H3N (solution)

Quantity Value Units Method Reference Comment
Deltar-15.1 ± 0.4kJ/molRSCNolan, Martin, et al., 1992solvent: Tetrahydrofuran; MS

C4H2O3- + Acetonitrile = (C4H2O3- bullet Acetonitrile)

By formula: C4H2O3- + C2H3N = (C4H2O3- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar23. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C6H4NO3- + Acetonitrile = (C6H4NO3- bullet Acetonitrile)

By formula: C6H4NO3- + C2H3N = (C6H4NO3- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar24. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C12H16CrO5 (solution) + Acetonitrile (solution) = C8H6CrNO5 (solution) + Heptane (solution)

By formula: C12H16CrO5 (solution) + C2H3N (solution) = C8H6CrNO5 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar-76.1 ± 5.0kJ/molPACYang, Peters, et al., 1986solvent: Heptane; MS

(Chlorine anion bullet 11Acetonitrile) + Acetonitrile = (Chlorine anion bullet 12Acetonitrile)

By formula: (Cl- bullet 11C2H3N) + C2H3N = (Cl- bullet 12C2H3N)

Quantity Value Units Method Reference Comment
Deltar-2. ± 7.1kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Chlorine anion bullet 13Acetonitrile) + Acetonitrile = (Chlorine anion bullet 14Acetonitrile)

By formula: (Cl- bullet 13C2H3N) + C2H3N = (Cl- bullet 14C2H3N)

Quantity Value Units Method Reference Comment
Deltar-2. ± 7.9kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 13Acetonitrile) + Acetonitrile = (Iodide bullet 14Acetonitrile)

By formula: (I- bullet 13C2H3N) + C2H3N = (I- bullet 14C2H3N)

Quantity Value Units Method Reference Comment
Deltar-4. ± 7.9kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Chlorine anion bullet 10Acetonitrile) + Acetonitrile = (Chlorine anion bullet 11Acetonitrile)

By formula: (Cl- bullet 10C2H3N) + C2H3N = (Cl- bullet 11C2H3N)

Quantity Value Units Method Reference Comment
Deltar7.5 ± 6.7kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Chlorine anion bullet 12Acetonitrile) + Acetonitrile = (Chlorine anion bullet 13Acetonitrile)

By formula: (Cl- bullet 12C2H3N) + C2H3N = (Cl- bullet 13C2H3N)

Quantity Value Units Method Reference Comment
Deltar4. ± 7.5kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 10Acetonitrile) + Acetonitrile = (Iodide bullet 11Acetonitrile)

By formula: (I- bullet 10C2H3N) + C2H3N = (I- bullet 11C2H3N)

Quantity Value Units Method Reference Comment
Deltar8.8 ± 6.7kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 11Acetonitrile) + Acetonitrile = (Iodide bullet 12Acetonitrile)

By formula: (I- bullet 11C2H3N) + C2H3N = (I- bullet 12C2H3N)

Quantity Value Units Method Reference Comment
Deltar8.8 ± 7.1kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Bromine anion bullet 10Acetonitrile) + Acetonitrile = (Bromine anion bullet 11Acetonitrile)

By formula: (Br- bullet 10C2H3N) + C2H3N = (Br- bullet 11C2H3N)

Quantity Value Units Method Reference Comment
Deltar5.0 ± 6.7kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Bromine anion bullet 11Acetonitrile) + Acetonitrile = (Bromine anion bullet 12Acetonitrile)

By formula: (Br- bullet 11C2H3N) + C2H3N = (Br- bullet 12C2H3N)

Quantity Value Units Method Reference Comment
Deltar5.0 ± 7.1kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Bromine anion bullet 12Acetonitrile) + Acetonitrile = (Bromine anion bullet 13Acetonitrile)

By formula: (Br- bullet 12C2H3N) + C2H3N = (Br- bullet 13C2H3N)

Quantity Value Units Method Reference Comment
Deltar2. ± 7.5kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Bromine anion bullet 13Acetonitrile) + Acetonitrile = (Bromine anion bullet 14Acetonitrile)

By formula: (Br- bullet 13C2H3N) + C2H3N = (Br- bullet 14C2H3N)

Quantity Value Units Method Reference Comment
Deltar3. ± 7.9kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Chlorine anion bullet 9Acetonitrile) + Acetonitrile = (Chlorine anion bullet 10Acetonitrile)

By formula: (Cl- bullet 9C2H3N) + C2H3N = (Cl- bullet 10C2H3N)

Quantity Value Units Method Reference Comment
Deltar8.8 ± 6.3kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 5Acetonitrile) + Acetonitrile = (Iodide bullet 6Acetonitrile)

By formula: (I- bullet 5C2H3N) + C2H3N = (I- bullet 6C2H3N)

Quantity Value Units Method Reference Comment
Deltar-10. ± 4.2kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 9Acetonitrile) + Acetonitrile = (Iodide bullet 10Acetonitrile)

By formula: (I- bullet 9C2H3N) + C2H3N = (I- bullet 10C2H3N)

Quantity Value Units Method Reference Comment
Deltar10. ± 6.3kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Bromine anion bullet 9Acetonitrile) + Acetonitrile = (Bromine anion bullet 10Acetonitrile)

By formula: (Br- bullet 9C2H3N) + C2H3N = (Br- bullet 10C2H3N)

Quantity Value Units Method Reference Comment
Deltar15. ± 6.3kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Chlorine anion bullet 8Acetonitrile) + Acetonitrile = (Chlorine anion bullet 9Acetonitrile)

By formula: (Cl- bullet 8C2H3N) + C2H3N = (Cl- bullet 9C2H3N)

Quantity Value Units Method Reference Comment
Deltar18. ± 5.9kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 6Acetonitrile) + Acetonitrile = (Iodide bullet 7Acetonitrile)

By formula: (I- bullet 6C2H3N) + C2H3N = (I- bullet 7C2H3N)

Quantity Value Units Method Reference Comment
Deltar15. ± 4.6kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 7Acetonitrile) + Acetonitrile = (Iodide bullet 8Acetonitrile)

By formula: (I- bullet 7C2H3N) + C2H3N = (I- bullet 8C2H3N)

Quantity Value Units Method Reference Comment
Deltar13. ± 5.0kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 8Acetonitrile) + Acetonitrile = (Iodide bullet 9Acetonitrile)

By formula: (I- bullet 8C2H3N) + C2H3N = (I- bullet 9C2H3N)

Quantity Value Units Method Reference Comment
Deltar10. ± 5.9kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Bromine anion bullet 7Acetonitrile) + Acetonitrile = (Bromine anion bullet 8Acetonitrile)

By formula: (Br- bullet 7C2H3N) + C2H3N = (Br- bullet 8C2H3N)

Quantity Value Units Method Reference Comment
Deltar15. ± 5.0kJ/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Bromine anion bullet 8Acetonitrile) + Acetonitrile = (Bromine anion bullet 9Acetonitrile)

By formula: (Br- bullet 8C2H3N) + C2H3N = (Br- bullet 9C2H3N)

Quantity Value Units Method Reference Comment
Deltar12. ± 5.9kJ/molN/AMarkovich, Perera, et al., 1996gas phase; 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

Copper ion (1+) + Acetonitrile = (Copper ion (1+) bullet Acetonitrile)

By formula: Cu+ + C2H3N = (Cu+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar238. ± 3.kJ/molCIDTVitale, 2001CH3CN is fifth ligand; RCD

2Acetonitrile = 3-iminobutyronitrile

By formula: 2C2H3N = 3-iminobutyronitrile

Quantity Value Units Method Reference Comment
Deltar-20.9kJ/molEqkRenner and Blander, 1977liquid phase; Heat of dimerization; ALS

C9H9MoN3O3 (cr) = 3Carbon monoxide (g) + molybdenum (cr) + 3Acetonitrile (g)

By formula: C9H9MoN3O3 (cr) = 3CO (g) + Mo (cr) + 3C2H3N (g)

Quantity Value Units Method Reference Comment
Deltar300.8 ± 9.4kJ/molHAL-HFCAdedeji, Connor, et al., 1978MS

(Copper ion (1+) bullet 2Acetonitrile) + Acetonitrile = (Copper ion (1+) bullet 3Acetonitrile)

By formula: (Cu+ bullet 2C2H3N) + C2H3N = (Cu+ bullet 3C2H3N)

Quantity Value Units Method Reference Comment
Deltar84. ± 2.kJ/molCIDTVitale, 2001RCD

(Copper ion (1+) bullet 3Acetonitrile) + Acetonitrile = (Copper ion (1+) bullet 4Acetonitrile)

By formula: (Cu+ bullet 3C2H3N) + C2H3N = (Cu+ bullet 4C2H3N)

Quantity Value Units Method Reference Comment
Deltar67. ± 2.kJ/molCIDTVitale, 2001RCD

(Copper ion (1+) bullet 4Acetonitrile) + Acetonitrile = (Copper ion (1+) bullet 5Acetonitrile)

By formula: (Cu+ bullet 4C2H3N) + C2H3N = (Cu+ bullet 5C2H3N)

Quantity Value Units Method Reference Comment
Deltar59.8 ± 4.2kJ/molCIDTVitale, 2001RCD

(Copper ion (1+) bullet Acetonitrile) + Acetonitrile = (Copper ion (1+) bullet 2Acetonitrile)

By formula: (Cu+ bullet C2H3N) + C2H3N = (Cu+ bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar238. ± 9.2kJ/molCIDTVitale, 2001RCD

(Silver ion (1+) bullet Acetonitrile) + Acetonitrile = (Silver ion (1+) bullet 2Acetonitrile)

By formula: (Ag+ bullet C2H3N) + C2H3N = (Ag+ bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar145.kJ/molCIDTShoieb, Aribi, et al., 2001RCD

Silver ion (1+) + Acetonitrile = (Silver ion (1+) bullet Acetonitrile)

By formula: Ag+ + C2H3N = (Ag+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar162.kJ/molCIDTShoieb, Aribi, et al., 2001RCD

References

Go To: Top, Reaction thermochemistry data, Notes

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

Bleijerveld and Vrieze, 1976
Bleijerveld, R.H.T.; Vrieze, K., Inorg. Chim. Acta, 1976, 19, 195. [all data]

Bleyerveld, Höhle, et al., 1975
Bleyerveld, R.H.T.; Höhle, Th.; Vrieze, K., J. Organometal. Chem., 1975, 281, 284. [all data]

Chowdhury, Grimsrud, et al., 1987
Chowdhury, S.; Grimsrud, E.P.; Kebarle, P., Bonding of Charged Delocalized Anions to Protic and Dipolar Aprotic Solvent Molecules, J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021 . [all data]

Nolan, Martin, et al., 1992
Nolan, S.P.; Martin, K.L.; Stevens, E.D.; Fagan, P., Organometallics, 1992, 11, 3947. [all data]

Yang, Peters, et al., 1986
Yang, G.K.; Peters, K.S.; Vaida, V., Chem. Phys. Lett., 1986, 125, 566. [all data]

Markovich, Perera, et al., 1996
Markovich, G.; Perera, L.; Berkowitz, M.L.; Cheshnovsky, O., The Solvation of Cl-, Br-, and I- in Acetonitrile Cluster: Photoelectron Spectroscopy and Molecular Dynamics Simulations., J. Chem. Phys., 1996, 105, 7, 2675, https://doi.org/10.1063/1.472131 . [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]

Vitale, 2001
Vitale, G., Solvation of Copper Ions by Acetonitrile. Structures and Sequential Binding Energies of Cu+(CH3CN)x, x=1-5 From Collision-Induced Dissociation and Theoretical Studies, J. Phys. Chem. A, 2001, 105, 50, 11351, https://doi.org/10.1021/jp0132432 . [all data]

Renner and Blander, 1977
Renner, T.A.; Blander, M., A study of dimerization in acetonitrile vapor by measurement of thermal conductivity, J. Phys. Chem., 1977, 81, 857-861. [all data]

Adedeji, Connor, et al., 1978
Adedeji, F.A.; Connor, J.A.; Demain, C.P.; Martinho Simões, J.A.; Skinner, H.A.; Zafarani- Moattar, M.T., J. Organometal. Chem., 1978, 149, 333. [all data]

Shoieb, Aribi, et al., 2001
Shoieb, T.; Aribi, H.; Siu, K.W.M.; Hopkinson, A.C., A Study of Silver(I) Ion-Organometallic Complexes: Ion Structures, Binding Energies, and Substituent Effects, J. Phys. Chem. A, 2001, 105, 4, 710, https://doi.org/10.1021/jp002676m . [all data]


Notes

Go To: Top, Reaction thermochemistry data, References