W(CO)5

Formula: C₅O₅W
Molecular weight: 323.89
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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	-581. ± 13.	kJ/mol	Review	Martinho Simões	Temperature range: 745-810 K.

Reaction thermochemistry data

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Data compiled by: José A. Martinho Simões

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Individual Reactions

(solution) = C₅O₅W (solution) + (solution)

By formula: C₆O₆W (solution) = C₅O₅W (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	166.9 ± 6.7	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 W(CO)6(solution) with PBu3(solution).
Δ_rH°	163.2	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 W(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.

(g) = C₅O₅W (g) + (g)

By formula: C₆O₆W (g) = C₅O₅W (g) + CO (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	193. ± 13.	kJ/mol	LPHP	Lewis, Golden, et al., 1984	The reaction enthalpy at 298 K relies on an activation energy of 186.2 kJ/mol and assumes a negligible activation barrier for product recombination. The enthalpy of formation relies on -883.9 ± 2.7 kJ/mol for the enthalpy of formation of W(CO)6(g)
Δ_rH°	166.5	kJ/mol	KinG	Cetini and Gambino, 1963	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 W(CO)6(g) with CO(g) Cetini and Gambino, 1963. The results were quoted from Graham and Angelici, 1967.

C₁₂H₁₆O₅W (solution) = C₅O₅W (solution) + (solution)

By formula: C₁₂H₁₆O₅W (solution) = C₅O₅W (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56.1	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 W-CO bond in W(CO)6, 192.5 kJ/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction W(CO)6(solution) + n-C7H16(solution) = W(CO)5(n-C7H16)(solution) + CO(solution), 136.4 kJ/mol Morse, Parker, et al., 1989

C₅O₅WXe (solution) = C₅O₅W (solution) + (solution)

By formula: C₅O₅WXe (solution) = C₅O₅W (solution) + Xe (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	35.1 ± 0.8	kJ/mol	KinS	Weiller, 1992	solvent: Liquid Xenon; Temperature range: 173-198 K

C₅O₅WXe (g) = C₅O₅W (g) + (g)

By formula: C₅O₅WXe (g) = C₅O₅W (g) + Xe (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	34.3 ± 4.2	kJ/mol	KinG	Wells and Weitz, 1992	The reaction enthalpy relies on 31.8 ± 4.2 kJ/mol for the activation energy and on the assumption of a negligible barrier for product recombination Wells and Weitz, 1992

C₅O₅W (g) = C₄O₄W (g) + (g)

By formula: C₅O₅W (g) = C₄O₄W (g) + CO (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	151. to 163.	kJ/mol	KinG	Rayner, Ishikawa, et al., 1991
Δ_rH°	167. ± 63.	kJ/mol	MBPS	Venkataraman, Hou, et al., 1990	The enthalpy of formation relies on -581. ± 13. kJ/mol for the enthalpy of formation of W(CO)5(g)

C₅O₅W (g) + (g) = C₇H₆O₅W (g)

By formula: C₅O₅W (g) + C₂H₆ (g) = C₇H₆O₅W (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-31.0 ± 8.4	kJ/mol	EqG	Brown, Ishikawa, et al., 1990	Temperature range: ca. 300-350 K
Δ_rH°	-41. ± 13.	kJ/mol	EqG	Ishikawa, Brown, et al., 1988	Temperature range: 298-363 K

C₅N₂O₆W (g) = C₅O₅W (g) + (g)

By formula: C₅N₂O₆W (g) = C₅O₅W (g) + N₂O (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	61.1 ± 2.1	kJ/mol	KinG	Weitz, 1994
Δ_rH°	92. ± 8.	kJ/mol	EST	Bogdan, Wells, et al., 1991

C₅O₅W (g) + (g) = C₉H₁₀O₅W (g)

By formula: C₅O₅W (g) + C₄H₁₀ (g) = C₉H₁₀O₅W (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-38. ± 13.	kJ/mol	EqG	Brown, Ishikawa, et al., 1990	Temperature range: ca. 300-350 K

C₅O₅W (g) + (g) = C₁₀H₁₂O₅W (g)

By formula: C₅O₅W (g) + C₅H₁₂ (g) = C₁₀H₁₂O₅W (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-44. ± 13.	kJ/mol	EqG	Brown, Ishikawa, et al., 1990	Temperature range: ca. 300-350 K

C₅O₅W (g) + (g) = C₁₁H₁₄O₅W (g)

By formula: C₅O₅W (g) + C₆H₁₄ (g) = C₁₁H₁₄O₅W (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-45. ± 13.	kJ/mol	EqG	Brown, Ishikawa, et al., 1990	Temperature range: ca. 300-350 K

C₅O₅W (g) + (g) = C₆H₃FO₅W (g)

By formula: C₅O₅W (g) + CH₃F (g) = C₆H₃FO₅W (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-47. ± 13.	kJ/mol	EqG	Brown, Ishikawa, et al., 1990	Temperature range: ca. 300-350 K

C₅O₅W (g) + (g) = C₈H₈O₅W (g)

By formula: C₅O₅W (g) + C₃H₈ (g) = C₈H₈O₅W (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-33.9 ± 8.4	kJ/mol	EqG	Brown, Ishikawa, et al., 1990	Temperature range: ca. 300-350 K

C₅O₅W (g) + (g) = C₆H₄O₅W (g)

By formula: C₅O₅W (g) + CH₄ (g) = C₆H₄O₅W (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	<-20.9	kJ/mol	EqG	Brown, Ishikawa, et al., 1990	Temperature range: ca. 300-350 K

C₅O₅W (g) + (g) = C₆H₂F₂O₅W (g)

By formula: C₅O₅W (g) + CH₂F₂ (g) = C₆H₂F₂O₅W (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	>-20.9	kJ/mol	EqG	Brown, Ishikawa, et al., 1990	Temperature range: ca. 300-350 K

C₅O₅W (g) + (g) = C₆HF₃O₅W (g)

By formula: C₅O₅W (g) + CHF₃ (g) = C₆HF₃O₅W (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	<-20.9	kJ/mol	EqG	Brown, Ishikawa, et al., 1990	Temperature range: ca. 300-350 K

C₅O₅W (g) + (g) = C₆F₄O₅W (g)

By formula: C₅O₅W (g) + CF₄ (g) = C₆F₄O₅W (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	<-20.9	kJ/mol	EqG	Brown, Ishikawa, et al., 1990	Temperature range: ca. 300-350 K

C₅H₂O₅W (g) = C₅O₅W (g) + (g)

By formula: C₅H₂O₅W (g) = C₅O₅W (g) + H₂ (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	>67.	kJ/mol	KG/EST	Ishikawa, Weersink, et al., 1987

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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]

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]

Cetini and Gambino, 1963
Cetini, G.; Gambino, O., Atti Accad. Sci. Torino, Classe Sci. Fis. Mat. Nat., 1963, 97, 1197. [all data]

Morse, Parker, et al., 1989
Morse, J.M., Jr.; Parker, G.H.; Burkey, T.J., Organometallics, 1989, 8, 2471. [all data]

Weiller, 1992
Weiller, B.H., J. Am. Chem. Soc., 1992, 114, 10910. [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]

Brown, Ishikawa, et al., 1990
Brown, C.E.; Ishikawa, Y.; Hackett, P.A.; Rayner, D.M., J. Am. Chem. Soc., 1990, 112, 2530. [all data]

Ishikawa, Brown, et al., 1988
Ishikawa, Y.; Brown, C.E.; Hackett, P.A.; Rayner, D.M., Chem. Phys. Lett., 1988, 150, 506. [all data]

Weitz, 1994
Weitz, E., J. Phys. Chem., 1994, 98, 11256. [all data]

Bogdan, Wells, et al., 1991
Bogdan, P.L.; Wells, J.R.; Weitz, E., J. Am. Chem. Soc., 1991, 113, 1294. [all data]

Ishikawa, Weersink, et al., 1987
Ishikawa, Y.; Weersink, R.A.; Hackett, P.A.; Rayner, D.M., Chem. Phys. Lett., 1987, 142, 271. [all data]

Notes

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Symbols used in this document:

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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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