Benzenechromiumtricarbonyl

• Formula: C₉H₆CrO₃
• Molecular weight: 214.1382
• IUPAC Standard InChI: InChI=1S/C6H6.3CO.Cr/c1-2-4-6-5-3-1;3*1-2;/h1-6H;;;; Copy

  
• IUPAC Standard InChIKey: WVSBQYMJNMJHIM-UHFFFAOYSA-N Copy
• CAS Registry Number: 12082-08-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Chromium, (η6-benzene)tricarbonyl-; Chromium, (benzene)tricarbonyl-; η6-Benzenetricarbonylchromium; π-Benzenechromium tricarbonyl; π-Benzenetricarbonylchromium; (Benzene)tricarbonylchromium; Benchrotrene; Benzene-chromium carbonyl complex; Benzenechromotricarbonyl; Benzenetricarbonyl chromium(0); Tricarbonylbenzene chromium; Benzentrikarbonylchromium
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
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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

Condensed 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 as indicated in comments:
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of solid

Phase change 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 as indicated in comments:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

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 as indicated in comments:
MS - José A. Martinho Simões
B - John E. Bartmess

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) = C₁₅H₂₂CrO₂ (solution) +  (solution)

By formula: C₉H₆CrO₃ (solution) + C₇H₁₆ (solution) = C₁₅H₂₂CrO₂ (solution) + CO (solution)

C₉H₅CrO₃^- +  =

By formula: C₉H₅CrO₃^- + H⁺ = C₉H₆CrO₃

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

Chhor, Pommier, et al., 1981
Chhor, K.; Pommier, C.; Berar, J.F.; Calvarin, G., Thermodynamic and x-ray studies on arene chromium carbonyls, Mol. Cryst. Liq. Cryst., 1981, 71, 3-18. [all data]

Adedeji, Brown, et al., 1975
Adedeji, F.A.; Brown, D.L.S.; Connor, J.A.; Leung, M.; Paz-Andrade, I.M.; Skinner, H.A., J. Organometal. Chem., 1975, 97, 221. [all data]

Adedeji, Lalage, et al., 1975
Adedeji, Festus A.; Lalage, D.; Brown, S.; Connor, Joseph A.; Leung, May L.; Paz-Andrade, I. Maria; Skinner, Henry A., Thermochemistry of arene chromium tricarbonyls and the strenghts of arene-chromium bonds, Journal of Organometallic Chemistry, 1975, 97, 2, 221-228, https://doi.org/10.1016/S0022-328X(00)89468-1 . [all data]

Cordes and Schreiner, 1959
Cordes, J.F.; Schreiner, S., Dampfdruckmessungen bei einigen Aromatenkomplexen, Z. Anorg. Allg. Chem., 1959, 299, 1-2, 87-91, https://doi.org/10.1002/zaac.19592990111 . [all data]

Connor, Skinner, et al., 1973
Connor, J.A.; Skinner, H.A.; Virmani, Y., Microcalorimetric studies. Thermal decomposition and iodination of bis(benzene)chromium, bis(benzene)-chromium iodide, and some (arene)chromium tricarbonyls, J. Chem. Soc., Faraday Trans. 1, 1973, 69, 0, 1218, https://doi.org/10.1039/f19736901218 . [all data]

Burkey, 1990
Burkey, T.J., J. Am. Chem. Soc., 1990, 112, 8329. [all data]

Lane and Squires, 1985
Lane, K.R.; Squires, R.R., Formation of HCr(CO)₃^- from the remarkable reaction of hydride ion with benzenechromium tricarbonyl, J. Am. Chem. Soc., 1985, 107, 6403. [all data]

Notes

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• Symbols used in this document:
  

  Cp,solid	Constant pressure heat capacity of solid
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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