Chromium hexacarbonyl
- Formula: C6CrO6
- Molecular weight: 220.0567
- IUPAC Standard InChIKey: KOTQLLUQLXWWDK-UHFFFAOYSA-N
- CAS Registry Number: 13007-92-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Chromium carbonyl; Chromcarbonyl; Chromium carbonyl (cr(co)6), (oc-6-11)-; Chromium carbonyl (Cr(CO)6); Hexacarbonylchromium; Cr(CO)6
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, References, Notes
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 | -910. ± 80. | kJ/mol | AVG | N/A | Average of 9 values; Individual data points |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, References, Notes
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) = C12H16CrO5 (solution) + (solution)
By formula: C6CrO6 (solution) + C7H16 (solution) = C12H16CrO5 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 113. ± 3. | kJ/mol | AVG | N/A | Average of 13 values; Individual data points |
(solution) = C5CrO5 (solution) + (solution)
By formula: C6CrO6 (solution) = C5CrO5 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 168.2 ± 2.5 | kJ/mol | KinS | Graham and Angelici, 1967 | solvent: Decalin; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Cr(CO)6(solution) with PBu3(solution). |
ΔrH° | 159.4 | kJ/mol | KinS | Werner and Prinz, 1966 | solvent: n-Decane+cyclohexane mixture; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reactions of Cr(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967. |
(g) = C5CrO5 (g) + (g)
By formula: C6CrO6 (g) = C5CrO5 (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 155. ± 21. | kJ/mol | KinG | Fletcher and Rosenfeld, 1988 | |
ΔrH° | 154. ± 13. | kJ/mol | LPHP | Lewis, Golden, et al., 1984 | Temperature range: 740-820 K. The reaction enthalpy at 298 K relies on an activation energy of 147.7 kJ/mol and assumes a negligible activation barrier for product recombination. |
ΔrH° | 161.9 | kJ/mol | KinG | Pajaro, Calderazzo, et al., 1960 | Please also see Graham and Angelici, 1967. The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Cr(CO)6(g) with CO(g) Pajaro, Calderazzo, et al., 1960. The results were quoted from Graham and Angelici, 1967. |
C10H5CrNO5 (solution) + (solution) = (solution) + (solution)
By formula: C10H5CrNO5 (solution) + CO (solution) = C6CrO6 (solution) + C4H4N2 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -61.9 | kJ/mol | KinS | Wovkulich and Atwood, 1980 | solvent: Hexane; The data rely on the enthalpy and entropy of activation for the forward reaction, 106.3 ± 4.6 kJ/mol and 13.0±14.6 J/(mol K) Dennenberg and Darensbourg, 1972, and also on the enthalpy and entropy of activation for the Cr-CO dissociation in Cr(CO)6, 168.2 ± 2.5 kJ/mol and 94.6±6.3 J/(mol K) Graham and Angelici, 1967. The latter data were obtained in decalin |
By formula: C6CrO6 (cr) = 6CO (g) + Cr (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 266. ± 4. | kJ/mol | TD-HFC | Al-Takhin, Connor, et al., 1984 | |
ΔrH° | 314.9 ± 0.9 | kJ/mol | TD-HZC | Pittam, Pilcher, et al., 1975 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977. |
ΔrH° | 269.4 ± 4.7 | kJ/mol | TD-HFC | Connor, Skinner, et al., 1972 |
(solution) + (solution) = C10H12CrO5 (solution) + (solution)
By formula: C5H12 (solution) + C6CrO6 (solution) = C10H12CrO5 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 117. ± 11. | kJ/mol | PAC | Morse, Parker, et al., 1989 | solvent: Pentane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation |
C10H5CrNO5 (cr) + (g) = (g) + (g)
By formula: C10H5CrNO5 (cr) + CO (g) = C6CrO6 (g) + C4H4N2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 75. ± 6. | kJ/mol | DSC | Daamen, van der Poel, et al., 1979 |
(g) = 3 (g) + C3CrO3 (g)
By formula: C6CrO6 (g) = 3CO (g) + C3CrO3 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 393. ± 42. | kJ/mol | MBPS | Venkataraman, Hou, et al., 1990 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Graham and Angelici, 1967
Graham, J.R.; Angelici, R.J.,
Inorg. Chem., 1967, 6, 2082. [all data]
Werner and Prinz, 1966
Werner, H.; Prinz, R.,
Chem. Ber., 1966, 99, 3582. [all data]
Fletcher and Rosenfeld, 1988
Fletcher, R.T.; Rosenfeld, R.N.,
Recombination of Cr(CO)n with CO: Kinetics and Bond Dissociation Energies,
J. Am. Chem. Soc., 1988, 110, 7, 2097, https://doi.org/10.1021/ja00215a014
. [all data]
Lewis, Golden, et al., 1984
Lewis, K.E.; Golden, D.M.; Smith, G.P.,
Organometallic bond dissociation energies: Laser pyrolysis of Fe(CO)5, Cr(CO)6, Mo(CO)6, and W(CO)6,
J. Am. Chem. Soc., 1984, 106, 3905. [all data]
Pajaro, Calderazzo, et al., 1960
Pajaro, G.; Calderazzo, F.; Ercoli, R.,
Gazz. Chim. Ital., 1960, 90, 1486. [all data]
Wovkulich and Atwood, 1980
Wovkulich, M.J.; Atwood, J.D.,
J. Organometal. Chem., 1980, 184, 77. [all data]
Dennenberg and Darensbourg, 1972
Dennenberg, R.J.; Darensbourg, D.J.,
Inorg. Chem., 1972, 11, 72. [all data]
Al-Takhin, Connor, et al., 1984
Al-Takhin, G.; Connor, J.A.; Skinner, H.A.; Zaharani-Moettar, M.T.,
J. Organomet. Chem., 1984, 260, 189. [all data]
Pittam, Pilcher, et al., 1975
Pittam, D.A.; Pilcher, G.; Barnes, D.S.; Skinner, H.A.; Todd, D.,
J. Less-Common Met., 1975, 42, 217. [all data]
Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J.,
Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]
Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B.,
Russ. Chem. Rev., 1977, 46, 689. [all data]
Connor, Skinner, et al., 1972
Connor, J.A.; Skinner, H.A.; Virmani, Y.,
Microcalorimetric studies. Thermal decomposition and iodination of metal carbonyls,
J. Chem. Soc., Faraday Trans. 1, 1972, 68, 0, 1754, https://doi.org/10.1039/f19726801754
. [all data]
Morse, Parker, et al., 1989
Morse, J.M., Jr.; Parker, G.H.; Burkey, T.J.,
Organometallics, 1989, 8, 2471. [all data]
Daamen, van der Poel, et al., 1979
Daamen, H.; van der Poel, H.; Stufkens, D.J.; Oskam, A.,
Thermochim. Acta, 1979, 34, 69. [all data]
Venkataraman, Hou, et al., 1990
Venkataraman, B.; Hou, H.; Zhang, Z.; Chen, S.; Bandukwalla, G.; Vernon, M.,
J. Chem. Phys., 1990, 92, 5338. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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