Cobalt, tetracarbonyl
- Formula: C4CoO4
- Molecular weight: 170.9736
- IUPAC Standard InChI: InChI=1S/4CH2O.Co/c4*1-2;/h4*1H2;
- IUPAC Standard InChIKey: QXPUSHXZNFSNGM-UHFFFAOYSA-N
- CAS Registry Number: 58207-38-8
- Chemical structure:
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Gas phase 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 by: José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -134.3 ± 1.8 | kcal/mol | Review | Martinho Simões | The enthalpy of formation relies on -283.0 ± 1.6 kcal/mol for the enthalpy of formation of Co2(CO)8(g). |
| ΔfH°gas | -133.9 | kcal/mol | Review | Martinho Simões |
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 by: José A. Martinho Simões
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.
Individual Reactions
(solution) =
(solution) +
(solution)
By formula: C4HCoO4 (solution) = H (solution) + C4CoO4 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 66.4 ± 1.0 | kcal/mol | EChem | Parker, Handoo, et al., 1991 | solvent: Acetonitrile; Please also see Tilset and Parker, 1989. The reaction enthalpy was obtained from the pKa of the hydride complex (MH), 8.3, and from the oxidation potential of the anion (M-), Co(CO)4(-), by using the equation: ΔHrxn [kJ/mol] = 5.71pKa(MH) + 96.485(Eo)ox(M-) + C. C is a constant that was calculated as 59.49 kcal/mol Parker, Handoo, et al., 1991, by adjusting the previous equation to the calorimetrically derived values for the reactions Cr(Cp)(CO)3(H)(solution) = Cr(Cp)(CO)3(solution) + H(solution), 61.5 ± 1.0 kcal/mol, and Cr(Cp)(CO)2(PPh3)(H)(solution) = Cr(Cp)(CO)2(PPh3)(solution) + H(solution), 59.8 ± 1.0 kcal/mol Kiss, Zhang, et al., 1990. C depends on the solvent and on the reference electrode. The value given implies that the electrode potentials are referenced to ferrocene/ferricinium electrode |
(g) = 2
(g)
By formula: C8Co2O8 (g) = 2C4CoO4 (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15. | kcal/mol | EST | Connor, 1977 | Please also see Pilcher and Skinner, 1982 and Martinho Simões and Beauchamp, 1990. The enthalpy of formation relies on -283.0 ± 1.6 kcal/mol for the enthalpy of formation of Co2(CO)8(g). |
| ΔrH° | 14. ± 3.1 | kcal/mol | EG/EIMS | Bidinosti and McIntyre, 1970 | The reaction enthalpy includes an estimated correction to 298 K. A value of 14.5 ± 2.0 kcal/mol was reported at an average temperature of 330 K Bidinosti and McIntyre, 1970. |
Gas phase ion energetics 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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C4CoO4+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.3 ± 0.1 | EI | Bidinosti and McIntyre, 1967 |
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.
Martinho Simões
Martinho Simões, J.A.,
Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]
Parker, Handoo, et al., 1991
Parker, V.D.; Handoo, K.L.; Roness, F.; Tilset, M.,
J. Am. Chem. Soc., 1991, 113, 7493. [all data]
Tilset and Parker, 1989
Tilset, M.; Parker, V.D.,
J. Am. Chem. Soc., 1989, 111, 6711; ibid. 1990. [all data]
Kiss, Zhang, et al., 1990
Kiss, G.; Zhang, K.; Mukerjee, S.L.; Hoff, C.; Roper, G.C.,
J. Am. Chem. Soc., 1990, 112, 5657. [all data]
Connor, 1977
Connor, J.A.,
Top. Curr. Chem., 1977, 71, 71. [all data]
Pilcher and Skinner, 1982
Pilcher, G.; Skinner, H.A.,
In The Chemistry of the Metal-Carbon Bond Wiley: New York, Hartley, F. R.; Patai, S., ed(s)., 1982. [all data]
Martinho Simões and Beauchamp, 1990
Martinho Simões, J.A.; Beauchamp, J.L.,
Chem. Rev., 1990, 90, 629. [all data]
Bidinosti and McIntyre, 1970
Bidinosti, D.R.; McIntyre, N.S.,
Mass spectrometric study of the thermal decomposition of dimanganese decacarbonyl and dicobalt octacarbonyl,
Can. J. Chem., 1970, 48, 593. [all data]
Bidinosti and McIntyre, 1967
Bidinosti, D.R.; McIntyre, N.S.,
The metal-metal bond dissociation energy in cobalt octacarbonyl,
Chem. Commun., 1967, 1. [all data]
Notes
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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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