Cr(CO)5
- Formula: C5CrO5
- Molecular weight: 192.0466
- CAS Registry Number: 26319-33-5
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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 | -644. ± 13. | kJ/mol | Review | Martinho Simões | The enthalpy of formation relies on -908.4 ± 2.6 kJ/mol for the enthalpy of formation of Cr(CO)6(g) |
ΔfH°gas | -643. ± 21. | kJ/mol | Review | Martinho Simões | The enthalpy of formation relies on -908.4 ± 2.6 kJ/mol for the enthalpy of formation of Cr(CO)6(g) |
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) = 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. |
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. |
C12H16CrO5 (solution) = (solution) + C5CrO5 (solution)
By formula: C12H16CrO5 (solution) = C7H16 (solution) + C5CrO5 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.2 | kJ/mol | N/A | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 154.0 kJ/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C7H16(solution) = Cr(CO)5(n-C7H16)(solution) + CO(solution), 113.8 kJ/mol Morse, Parker, et al., 1989 |
ΔrH° | 41. | kJ/mol | N/A | Yang, Vaida, et al., 1988 | solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 154.0 kJ/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C7H16(solution) = Cr(CO)5(n-C7H16)(solution) + CO(solution), 112.9 kJ/mol Yang, Peters, et al., 1986 |
C10H12CrO5 (solution) = (solution) + C5CrO5 (solution)
By formula: C10H12CrO5 (solution) = C5H12 (solution) + C5CrO5 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.3 | kJ/mol | N/A | Morse, Parker, et al., 1989 | solvent: Pentane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 154.0 kJ/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C5H12(solution) = Cr(CO)5(n-C5H12)(solution) + CO(solution), 116.7 kJ/mol Morse, Parker, et al., 1989 |
C7H4CrO5 (g) = C5CrO5 (g) + (g)
By formula: C7H4CrO5 (g) = C5CrO5 (g) + C2H4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 105. ± 4. | kJ/mol | KinG | McNamara, Becher, et al., 1994 | The reaction enthalpy was identified with the activation energy. |
ΔrH° | 103. ± 10. | kJ/mol | KinG | Wells, House, et al., 1994 | The reaction enthalpy relies on the measured activation energy and on the assumption of a negligible barrier for product recombination Wells, House, et al., 1994. |
C5CrO5Xe (g) = C5CrO5 (g) + (g)
By formula: C5CrO5Xe (g) = C5CrO5 (g) + Xe (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.7 ± 3.8 | kJ/mol | KinG | Wells and Weitz, 1992 | The reaction enthalpy relies on 35.1 ± 3.8 kJ/mol for the activation energy and assumes a negligible barrier for product recombination Wells and Weitz, 1992 |
C5H2CrO5 (g) = (g) + C5CrO5 (g)
By formula: C5H2CrO5 (g) = H2 (g) + C5CrO5 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.8 ± 5.4 | kJ/mol | KinG | Wells, House, et al., 1994 | The reaction enthalpy relies on the measured activation energy and on the assumption of a negligible barrier for product recombination Wells, House, et al., 1994. |
C7CrF4O5 (g) = (g) + C5CrO5 (g)
By formula: C7CrF4O5 (g) = C2F4 (g) + C5CrO5 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 82.4 ± 5.9 | kJ/mol | KinG | Wells, House, et al., 1994 | The reaction enthalpy relies on the measured activation energy and on the assumption of a negligible barrier for product recombination Wells, House, et al., 1994. |
C5CrO5 (g) = C4CrO4 (g) + (g)
By formula: C5CrO5 (g) = C4CrO4 (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 138. | kJ/mol | KinG | Rayner, Ishikawa, et al., 1991 | |
ΔrH° | 167. ± 63. | kJ/mol | MBPS | Venkataraman, Hou, et al., 1990 | |
ΔrH° | 105. ± 21. | kJ/mol | KinG | Fletcher and Rosenfeld, 1988 |
C6H4CrO5 (g) = C5CrO5 (g) + (g)
By formula: C6H4CrO5 (g) = C5CrO5 (g) + CH4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33.5 ± 8.4 | kJ/mol | KG/EST | Wells, House, et al., 1994 |
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: John E. Bartmess
View reactions leading to C5CrO5+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
>2.26361 | IMRB | Sallans, Lane, et al., 1985 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes
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]
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]
Morse, Parker, et al., 1989
Morse, J.M., Jr.; Parker, G.H.; Burkey, T.J.,
Organometallics, 1989, 8, 2471. [all data]
Yang, Vaida, et al., 1988
Yang, G.K.; Vaida, V.; Peters, K.S.,
Polyhedron, 1988, 7, 1619. [all data]
Yang, Peters, et al., 1986
Yang, G.K.; Peters, K.S.; Vaida, V.,
Chem. Phys. Lett., 1986, 125, 566. [all data]
McNamara, Becher, et al., 1994
McNamara, B.; Becher, D.M.; Towns, M.H.; Grant, E.R.,
J. Phys. Chem., 1994, 98, 4622. [all data]
Wells, House, et al., 1994
Wells, J.R.; House, P.G.; Weitz, E.,
J. Phys. Chem., 1994, 98, 8343. [all data]
Wells and Weitz, 1992
Wells, J.R.; Weitz, E.,
J. Am. Chem. Soc., 1992, 114, 2783. [all data]
Rayner, Ishikawa, et al., 1991
Rayner, D.M.; Ishikawa, Y.; Brown, C.E.; Hackett, P.A.,
J. Chem. Phys., 1991, 94, 5471. [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]
Sallans, Lane, et al., 1985
Sallans, L.; Lane, K.R.; Squires, R.R.; Freiser, B.S.,
Generation and reactions of atomic metal anions in the gas phase. Determination of the heterolytic and homolytic bond energies of VH, VrH, FeH, CoH, and MoH,
J. Am. Chem. Soc., 1985, 107, 4379. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity 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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