Cr(CO)5

Formula: C₅CrO₅
Molecular weight: 192.0466
CAS Registry Number: 26319-33-5
Information on this page:
Other data available:
- Gas phase thermochemistry data
- Gas phase ion energetics data
Data at other public NIST sites:
- Gas Phase Kinetics Database
Options:
- Switch to calorie-based units

Reaction thermochemistry data

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
Δ_rH°	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).
Δ_rH°	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
Δ_rH°	155. ± 21.	kJ/mol	KinG	Fletcher and Rosenfeld, 1988
Δ_rH°	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.
Δ_rH°	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
Δ_rH°	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
Δ_rH°	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
Δ_rH°	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
Δ_rH°	105. ± 4.	kJ/mol	KinG	McNamara, Becher, et al., 1994	The reaction enthalpy was identified with the activation energy.
Δ_rH°	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
Δ_rH°	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
Δ_rH°	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
Δ_rH°	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
Δ_rH°	138.	kJ/mol	KinG	Rayner, Ishikawa, et al., 1991
Δ_rH°	167. ± 63.	kJ/mol	MBPS	Venkataraman, Hou, et al., 1990
Δ_rH°	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
Δ_rH°	33.5 ± 8.4	kJ/mol	KG/EST	Wells, House, et al., 1994

References

Go To: Top, Reaction thermochemistry data, Notes

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]

Notes

Go To: Top, Reaction thermochemistry data, References

Symbols used in this document:

Δ_rH° Enthalpy of reaction at standard conditions

Δ_rS° Entropy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.

Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions