Chromium hexacarbonyl
- Formula: C6CrO6
- Molecular weight: 220.0567
- IUPAC Standard InChIKey: KOTQLLUQLXWWDK-UHFFFAOYSA-N
- 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
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -910. ± 80. | kJ/mol | AVG | N/A | Average of 9 values; Individual data points |
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 by: José A. Martinho Simões
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -980. ± 80. | kJ/mol | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1932. ± 17. | kJ/mol | CC-SB | Pittam, Pilcher, et al., 1975 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977. |
ΔcH°solid | -1949.4 ± 1.8 | kJ/mol | CC-SB | Shuman, Chernova, et al., 1974 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977. |
ΔcH°solid | -1853.9 ± 4.2 | kJ/mol | CC-SB | Cotton, Fischer, et al., 1956 | Please also see Pedley and Rylance, 1977, Cox and Pilcher, 1970, and Tel'noi and Rabinovich, 1977. |
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:
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 69. ± 2. | kJ/mol | N/A | Al-Takhin, Connor, et al., 1984 | AC |
ΔsubH° | 72.0 ± 4.2 | kJ/mol | N/A | Pilcher and Skinner, 1983 | See also Pittam, Pilcher, et al., 1975, 2.; AC |
ΔsubH° | 70. ± 2. | kJ/mol | C | Ribeiro Da Silva and Reis, 1983 | AC |
ΔsubH° | 71.6 ± 1.7 | kJ/mol | CC-SB | Daamen, Ernsting, et al., 1979 | Please also see Boxhoorn, Ernsting, et al., 1980. Other values for the enthalpy of sublimation have been reported: 72.0 ± 4.2 kJ/mol Hieber and Romberg, 1935 Pilcher, Ware, et al., 1975, 69. ± 2. kJ/mol Al-Takhin, Connor, et al., 1984, 2 and 69.5 ± 4.2 kJ/mol Rezukhina and Shvyrev, 1952; MS |
ΔsubH° | 69.5 | kJ/mol | C | Adedeji, Lalage, et al., 1975 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
62.5 | 324. | Stull, 1947 | Based on data from 309. to 424. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
309. to 424. | 7.88118 | 3391.743 | 6.153 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
63.3 | 328. | GS | Pankajavalli, Mallika, et al., 2002 | Based on data from 309. to 347. K.; AC |
65.7 | 269. | TE | Garner, Chandra, et al., 1995 | Based on data from 266. to 272. K.; AC |
68.5 ± 1.1 | 323. to 391. | N/A | Baev, 1993 | AC |
68.5 | 355.5 | A | Stephenson and Malanowski, 1987 | Based on data from 288. to 423. K.; AC |
71.6 ± 1.7 | 260. | ME | Boxhoorn, Ernsting, et al., 1980, 2 | Based on data from 240. to 280. K. See also Daamen, Ernsting, et al., 1979, 2.; AC |
71.5 ± 0.8 | 288. | BG | Boni, 1966 | Based on data from 274. to 301. K.; AC |
69.3 | 319. to 411. | N/A | Rezukhina and Shvyrev, 1952 | AC |
63.6 | 358. | MM | Windsor and Blanchard, 1934 | Based on data from 308. to 408. K.; AC |
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 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)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 113. ± 3. | kJ/mol | AVG | N/A | Average of 13 values; Individual data points |
(solution) = C5CrO5 (solution) +
(solution)
By formula: C6CrO6 (solution) = C5CrO5 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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). |
ΔrH° | 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 |
---|---|---|---|---|---|
ΔrH° | 155. ± 21. | kJ/mol | KinG | Fletcher and Rosenfeld, 1988 | |
ΔrH° | 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. |
ΔrH° | 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. |
C10H5CrNO5 (solution) + (solution) =
(solution) +
(solution)
By formula: C10H5CrNO5 (solution) + CO (solution) = C6CrO6 (solution) + C4H4N2 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -61.9 | kJ/mol | KinS | Wovkulich and Atwood, 1980 | solvent: Hexane; The data rely on the enthalpy and entropy of activation for the forward reaction, 106.3 ± 4.6 kJ/mol and 13.0±14.6 J/(mol K) Dennenberg and Darensbourg, 1972, and also on the enthalpy and entropy of activation for the Cr-CO dissociation in Cr(CO)6, 168.2 ± 2.5 kJ/mol and 94.6±6.3 J/(mol K) Graham and Angelici, 1967. The latter data were obtained in decalin |
By formula: C6CrO6 (cr) = 6CO (g) + Cr (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 266. ± 4. | kJ/mol | TD-HFC | Al-Takhin, Connor, et al., 1984, 2 | |
ΔrH° | 314.9 ± 0.9 | kJ/mol | TD-HZC | Pittam, Pilcher, et al., 1975 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977. |
ΔrH° | 269.4 ± 4.7 | kJ/mol | TD-HFC | Connor, Skinner, et al., 1972 |
(solution) +
(solution) = C10H12CrO5 (solution) +
(solution)
By formula: C5H12 (solution) + C6CrO6 (solution) = C10H12CrO5 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 117. ± 11. | kJ/mol | PAC | Morse, Parker, et al., 1989 | solvent: Pentane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation |
C10H5CrNO5 (cr) + (g) =
(g) +
(g)
By formula: C10H5CrNO5 (cr) + CO (g) = C6CrO6 (g) + C4H4N2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 75. ± 6. | kJ/mol | DSC | Daamen, van der Poel, et al., 1979 |
(g) = 3
(g) + C3CrO3 (g)
By formula: C6CrO6 (g) = 3CO (g) + C3CrO3 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 393. ± 42. | kJ/mol | MBPS | Venkataraman, Hou, et al., 1990 |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
NIST MS number | 61993 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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Download spectrum in JCAMP-DX format.
Source | Lundquist and Cais, 1962 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 13259 |
Instrument | Cary Model 10-S |
Melting point | 151-152 |
Boiling point | sub |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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]
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, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
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
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