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;;;;
- IUPAC Standard InChIKey: WVSBQYMJNMJHIM-UHFFFAOYSA-N
- 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
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -350.3 ± 9.4 | kJ/mol | Review | Martinho Simões |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, 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:
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -441.5 ± 8.4 | kJ/mol | Review | Martinho Simões | MS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 267.4 | J/mol*K | N/A | Chhor, Pommier, et al., 1981 | DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 238.1 | 298.15 | Chhor, Pommier, et al., 1981 | T = 5 to 300 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 91.2 ± 4.2 | kJ/mol | HAL-HFC | Adedeji, Brown, et al., 1975 | MS |
| ΔsubH° | 91.2 | kJ/mol | C | Adedeji, Lalage, et al., 1975 | AC |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 97.9 | 364. - 370. | TE | Cordes and Schreiner, 1959 | See also Connor, Skinner, et al., 1973.; AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- 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 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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