Chromium hexacarbonyl

• Formula: C₆CrO₆
• Molecular weight: 220.0567
• IUPAC Standard InChI: InChI=1S/6CO.Cr/c6*1-2; Copy

  
• IUPAC Standard InChIKey: KOTQLLUQLXWWDK-UHFFFAOYSA-N Copy
• CAS Registry Number: 13007-92-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Chromium carbonyl; Chromcarbonyl; Chromium carbonyl (cr(co)6), (oc-6-11)-; Chromium carbonyl (Cr(CO)6); Hexacarbonylchromium; Cr(CO)6
• 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
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
  • Switch to SI units

Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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:
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Enthalpy of sublimation

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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) +  (solution) = C₁₂H₁₆CrO₅ (solution) +  (solution)

By formula: C₆CrO₆ (solution) + C₇H₁₆ (solution) = C₁₂H₁₆CrO₅ (solution) + CO (solution)

 (solution) = C₅CrO₅ (solution) +  (solution)

By formula: C₆CrO₆ (solution) = C₅CrO₅ (solution) + CO (solution)

 (g) = C₅CrO₅ (g) +  (g)

By formula: C₆CrO₆ (g) = C₅CrO₅ (g) + CO (g)

C₁₀H₅CrNO₅ (solution) +  (solution) =  (solution) +  (solution)

By formula: C₁₀H₅CrNO₅ (solution) + CO (solution) = C₆CrO₆ (solution) + C₄H₄N₂ (solution)

 (cr) = 6 (g) +  (cr)

By formula: C₆CrO₆ (cr) = 6CO (g) + Cr (cr)

 (solution) +  (solution) = C₁₀H₁₂CrO₅ (solution) +  (solution)

By formula: C₅H₁₂ (solution) + C₆CrO₆ (solution) = C₁₀H₁₂CrO₅ (solution) + CO (solution)

C₁₀H₅CrNO₅ (cr) +  (g) =  (g) +  (g)

By formula: C₁₀H₅CrNO₅ (cr) + CO (g) = C₆CrO₆ (g) + C₄H₄N₂ (g)

 (g) = 3 (g) + C₃CrO₃ (g)

By formula: C₆CrO₆ (g) = 3CO (g) + C₃CrO₃ (g)

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Pittam, Pilcher, et al., 1975
Pittam, D.A.; Pilcher, G.; Barnes, D.S.; Skinner, H.A.; Todd, D., J. Less-Common Met., 1975, 42, 217. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1977, 46, 689. [all data]

Shuman, Chernova, et al., 1974
Shuman, M.S.; Chernova, V.I.; Zakharov, V.V.; Rabinovich, I.B., Trudy Khim. Khim. Tekhnol., Gorky, 1974, 1, 78. [all data]

Cotton, Fischer, et al., 1956
Cotton, F.A.; Fischer, A.K.; Wilkinson. G., J. Am. Chem. Soc., 1956, 78, 5168. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Al-Takhin, Connor, et al., 1984
Al-Takhin, Ghassan; Connor, Joseph A.; Skinner, Henry A.; Zafarani-Moattar, Mohamed T., Thermochemistry of arenetricarbonylchromium complexes containing toluene, anisole, N,N-dimethylaninine, acetophenone and methylbenzoate, Journal of Organometallic Chemistry, 1984, 260, 2, 189-197, https://doi.org/10.1016/S0022-328X(00)98694-7 . [all data]

Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A., Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2 . [all data]

Pittam, Pilcher, et al., 1975, 2
Pittam, D.A.; Pilcher, G.; Barnes, D.S.; Skinner, H.A.; Todd, D., The enthalpy of formation of chromium hexacarbonyl, Journal of the Less Common Metals, 1975, 42, 2, 217-222, https://doi.org/10.1016/0022-5088(75)90007-7 . [all data]

Ribeiro Da Silva and Reis, 1983
Ribeiro Da Silva, Manuel A.V.; Reis, Ana Maria M.V., The standard molar enthalpies of formation of bis(benzoylacetonato)-beryllium(II) and tris(benzoylacetonato)-aluminium(III) and the mean molar metal-oxygen bond-dissociation enthalpies, The Journal of Chemical Thermodynamics, 1983, 15, 10, 957-963, https://doi.org/10.1016/0021-9614(83)90129-5 . [all data]

Daamen, Ernsting, et al., 1979
Daamen, H.; Ernsting, J.M.; Oskam, A., Thermochim. Acta, 1979, 33, 217. [all data]

Boxhoorn, Ernsting, et al., 1980
Boxhoorn, G.; Ernsting, J.M.; Stufkens, D.J.; Oskam, A., Thermochim. Acta, 1980, 42, 315. [all data]

Hieber and Romberg, 1935
Hieber, W.; Romberg, E., Z. Anorg. Allg. Chem., 1935, 221, 321. [all data]

Pilcher, Ware, et al., 1975
Pilcher, G.; Ware, M.J.; Pittam, D.A., J. Less-Common Met., 1975, 42, 223. [all data]

Al-Takhin, Connor, et al., 1984, 2
Al-Takhin, G.; Connor, J.A.; Skinner, H.A.; Zaharani-Moettar, M.T., J. Organomet. Chem., 1984, 260, 189. [all data]

Rezukhina and Shvyrev, 1952
Rezukhina, T.N.; Shvyrev, V.V., Vestn. Moskov. Univ., 1952, 7, 41. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Pankajavalli, Mallika, et al., 2002
Pankajavalli, R.; Mallika, C.; Sreedharan, O.M.; Raghunathan, V.S.; Antony Premkumar, P.; Nagaraja, K.S., Thermal stability of organo-chromium or chromium organic complexes and vapor pressure measurements on tris(2,4-pentanedionato)chromium(III) and hexacarbonyl chromium(0) by TG-based transpiration method, Chemical Engineering Science, 2002, 57, 17, 3603-3610, https://doi.org/10.1016/S0009-2509(02)00248-8 . [all data]

Garner, Chandra, et al., 1995
Garner, M.L.; Chandra, D.; Lau, K.H., Low-temperature vapor pressures of W-, Cr-, and Co-carbonyls, JPE, 1995, 16, 1, 24-29, https://doi.org/10.1007/BF02646245 . [all data]

Baev, 1993
Baev, A.K., Thermodynamic properties of the mixtures of chromium and tungsten hexacarbonyls, Zh. Fiz. Khim., 1993, 67, 12, 2399. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Boxhoorn, Ernsting, et al., 1980, 2
Boxhoorn, G.; Ernsting, J.M.; Stufkens, D.J.; Oskam, A., Vapour pressure measurements on M(CO)5L complexes (M «58875» Cr, W; L «58875» CO, P(OØ)3, PØ3, PMe3, NMe3 and pyridazine), Thermochimica Acta, 1980, 42, 3, 315-321, https://doi.org/10.1016/0040-6031(80)85092-1 . [all data]

Daamen, Ernsting, et al., 1979, 2
Daamen, H.; Ernsting, J.M.; Oskam, A., Vapour pressure measurements on M(CO)5L (M = Cr, Mo, W; L = piperidine, pyridine, pyrazine, pyrazole, thiazole), Thermochimica Acta, 1979, 33, 217-223, https://doi.org/10.1016/0040-6031(79)87044-6 . [all data]

Boni, 1966
Boni, A.A., The Vapor Pressures of Titanium Tetrabromide and Chromium Carbonyl, J. Electrochem. Soc., 1966, 113, 10, 1089, https://doi.org/10.1149/1.2423762 . [all data]

Windsor and Blanchard, 1934
Windsor, Manly M.; Blanchard, Arthur A., The Vapor Pressure and Molecular Weight of Chromium Carbonyl, J. Am. Chem. Soc., 1934, 56, 4, 823-825, https://doi.org/10.1021/ja01319a015 . [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]

Wovkulich and Atwood, 1980
Wovkulich, M.J.; Atwood, J.D., J. Organometal. Chem., 1980, 184, 77. [all data]

Dennenberg and Darensbourg, 1972
Dennenberg, R.J.; Darensbourg, D.J., Inorg. Chem., 1972, 11, 72. [all data]

Connor, Skinner, et al., 1972
Connor, J.A.; Skinner, H.A.; Virmani, Y., Microcalorimetric studies. Thermal decomposition and iodination of metal carbonyls, J. Chem. Soc., Faraday Trans. 1, 1972, 68, 0, 1754, https://doi.org/10.1039/f19726801754 . [all data]

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

Daamen, van der Poel, et al., 1979
Daamen, H.; van der Poel, H.; Stufkens, D.J.; Oskam, A., Thermochim. Acta, 1979, 34, 69. [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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Cooper, Green, et al., 1987
Cooper, G.; Green, J.C.; Payne, M.; Dobson, B.R.; Hillier, I.H., Photoelectron spectroscopy with variable photon energy: A study of the metal hexacarbonyls, M(CO)₆, Where M = CR, MO, and W., J. Am. Chem. Soc., 1987, 109, 3836. [all data]

Das, Nishimura, et al., 1985
Das, P.R.; Nishimura, T.; Meisels, G.G., Fragmentation of energy-selected hexacarbonylchromium ion, J. Phys. Chem., 1985, 89, 2808. [all data]

Hubbard and Lichtenberger, 1982
Hubbard, J.L.; Lichtenberger, D.L., Vibrational fine structure in the valence ionizations of transition-metal hexacarbonyls: New experimental indication of metal-to-carbonyl π bonding, J. Am. Chem. Soc., 1982, 104, 2132. [all data]

Michels, Flesch, et al., 1980
Michels, G.D.; Flesch, G.D.; Svec, H.J., Comparative mass spectrometry of the group 6B hexacarbonyls and pentacarbonyl thiocarbonyls, Inorg. Chem., 1980, 19, 479. [all data]

Paetzold and Abd-el-Mottaleb, 1975
Paetzold, R.; Abd-el-Mottaleb, S., Correlative studies of some spectroscopic and bonding parameters in octahedrally coordinated metal carbonyl complexes, J. Mol. Struct., 1975, 24, 357. [all data]

Muller, Fenderl, et al., 1971
Muller, J.; Fenderl, K.; Mertschenk, B., Die Donor-Akzeptor-Eigenschaften des Liganden Trifluorphosphin in Ubergangsmetallkomplexen, Chem. Ber., 1971, 104, 700. [all data]

Fischer, Kreiter, et al., 1971
Fischer, E.O.; Kreiter, C.G.; Kollmeier, H.J.; Muller, J.; Fischer, R.D., Ubergangsmetall- carben-komplexe. XXVII. Ringsubstituierte (methoxyphenylcarben)-pentacarbonylchrom(0)- komplexe, J. Organomet. Chem., 1971, 28, 237. [all data]

Lloyd and Schlag, 1969
Lloyd, D.R.; Schlag, E.W., Photoionization studies of metal carbonyls. I. Ionization potentials and the bonding in group VI metal hexacarbonyls and in mononuclear carbonyls and nitrosyl carbonyls of iron, cobalt, and nickel, Inorg. Chem., 1969, 8, 2544. [all data]

English, Plowman, et al., 1979
English, A.M.; Plowman, K.R.; Butler, I.S.; Diemann, E.; Muller, A., He(I) photoelectron spectra of pentacarbonyl(selenocarbonyl)chromium(0) related complexes, Inorg. Chim. Acta, 1979, 32, 113. [all data]

Block and Fenske, 1977
Block, T.F.; Fenske, R.F., A photoelectron spectroscopic study of some pentacarbonylchromium carbene complexes, J. Am. Chem. Soc., 1977, 99, 4321. [all data]

Head, Nixon, et al., 1975
Head, R.A.; Nixon, J.F.; Sharp, G.J.; Clark, R.J., Photoelectron spectroscopic study of metal trifluorophosphine and hydridotrifluorophosphine complexes, J. Chem. Soc. Dalton Trans., 1975, 2054. [all data]

Higginson, Lloyd, et al., 1973
Higginson, B.R.; Lloyd, D.R.; Burroughs, P.; Gibson, D.M.; Orchard, A.F., Photoelectron studies of metal carbonyls. Part 2. The valence region photoelectron spectra of the Group VIA hexacarbonyls, J. Chem. Soc. Faraday Trans. 2, 1973, 1659. [all data]

Caulton and Fenske, 1968
Caulton, K.G.; Fenske, R.F., Electronic structure and bonding in V(CO)₆^-, Cr(CO)₆, and Mn(CO)₆⁺, Inorg. Chem., 1968, 7, 1273. [all data]

Bidinosti and McIntyre, 1967
Bidinosti, D.R.; McIntyre, N.S., Electron-impact study of some binary metal carbonyls, Can. J. Chem., 1967, 45, 641. [all data]

Junk and Svec, 1968
Junk, G.A.; Svec, H.J., Energetics of the ionization and dissociation of Ni(CO)₄, Fe(CO)₅, Cr(CO)₆, Mo(CO)₆ and W(CO)₆, Z. Naturforsch., 1968, 23b, 1. [all data]

Winters and Kiser, 1965
Winters, R.E.; Kiser, R.W., Mass spectrometric studies of chromium, molybdenum, and tungsten hexacarbonyls, Inorg. Chem., 1965, 4, 157. [all data]

Foffani, Pignataro, et al., 1965
Foffani, A.; Pignataro, S.; Cantone, B.; Grasso, F., Mass spectra of metal hexacarbonyls, Z. Physik. Chem. (Frankfurt), 1965, 45, 79. [all data]

Lundquist and Cais, 1962
Lundquist, R.T.; Cais, M., J. Org. Chem., 1962, 27, 1167. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References

• Symbols used in this document:
  

  AE	Appearance energy
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  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
  ΔrS°	Entropy of reaction at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔvapH	Enthalpy of vaporization

• 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.