Cr(CO)5

Formula: C₅CrO₅
Molecular weight: 192.0466
CAS Registry Number: 26319-33-5
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Data at other public NIST sites:
- Gas Phase Kinetics Database
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Gas phase thermochemistry data

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Data compiled by: José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-153.9 ± 3.1	kcal/mol	Review	Martinho Simões	The enthalpy of formation relies on -217.1 ± 0.62 kcal/mol for the enthalpy of formation of Cr(CO)6(g)
Δ_fH°_gas	-154. ± 5.0	kcal/mol	Review	Martinho Simões	The enthalpy of formation relies on -217.1 ± 0.62 kcal/mol for the enthalpy of formation of Cr(CO)6(g)

Reaction thermochemistry data

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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°	40.20 ± 0.60	kcal/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°	38.10	kcal/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°	37.0 ± 5.0	kcal/mol	KinG	Fletcher and Rosenfeld, 1988
Δ_rH°	36.8 ± 3.0	kcal/mol	LPHP	Lewis, Golden, et al., 1984	Temperature range: 740-820 K. The reaction enthalpy at 298 K relies on an activation energy of 35.30 kcal/mol and assumes a negligible activation barrier for product recombination.
Δ_rH°	38.70	kcal/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°	9.61	kcal/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, 36.81 kcal/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), 27.20 kcal/mol Morse, Parker, et al., 1989
Δ_rH°	9.8	kcal/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, 36.81 kcal/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), 26.98 kcal/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°	8.91	kcal/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, 36.81 kcal/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), 27.89 kcal/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°	25.1 ± 1.	kcal/mol	KinG	McNamara, Becher, et al., 1994	The reaction enthalpy was identified with the activation energy.
Δ_rH°	24.7 ± 2.4	kcal/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°	9.01 ± 0.91	kcal/mol	KinG	Wells and Weitz, 1992	The reaction enthalpy relies on 8.39 ± 0.91 kcal/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°	15.0 ± 1.3	kcal/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°	19.7 ± 1.4	kcal/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°	33.0	kcal/mol	KinG	Rayner, Ishikawa, et al., 1991
Δ_rH°	40. ± 15.	kcal/mol	MBPS	Venkataraman, Hou, et al., 1990
Δ_rH°	25.1 ± 5.0	kcal/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°	8.0 ± 2.0	kcal/mol	KG/EST	Wells, House, et al., 1994

Gas phase ion energetics data

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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

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

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Symbols used in this document:

EA Electron affinity

Δ_fH°_gas Enthalpy of formation of gas at standard conditions

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
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EA	Electron affinity
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions