(η6-Methylbenzoate) chromium tricarbonyl
- Formula: C11H8CrO5
- Molecular weight: 272.1743
- CAS Registry Number: 12125-87-0
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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 | -148.2 ± 2.2 | kcal/mol | Review | Martinho Simões | |
| ΔfH°gas | -157.4 ± 2.3 | kcal/mol | Review | Martinho Simões |
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 27.1 ± 1.2 | kcal/mol | TD-HFC | Al-Takhin, Connor, et al., 1984 | MS |
| ΔsubH° | 22.2 ± 0.48 | kcal/mol | C | Al-Takhin, Connor, et al., 1984, 2 | AC |
| ΔsubH° | 27.2 ± 1.2 | kcal/mol | C | Al-Takhin, Connor, et al., 1984, 2 | AC |
| ΔsubH° | 22.6 ± 1.0 | kcal/mol | N/A | Pilcher and Skinner, 1983 | See also Adedeji, Lalage, et al., 1975.; AC |
Gas phase ion energetics 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:
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
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.1 | EI | Simonneaux, Jaouen, et al., 1977 | LLK |
| 7.0 ± 0.1 | EI | Gilbert, Leach, et al., 1973 | LLK |
| 7.41 | EI | Muller, 1969 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C8H8O2Cr+ | 9.1 | 3CO | EI | Simonneaux, Jaouen, et al., 1977 | LLK |
| C8H8O2Cr+ | 10.0 ± 0.1 | 3CO | EI | Gilbert, Leach, et al., 1973 | LLK |
| C8H8O2+ | 9.3 ± 0.1 | ? | EI | Gilbert, Leach, et al., 1973 | LLK |
| C9H8O3Cr+ | 7.7 | 2CO | EI | Simonneaux, Jaouen, et al., 1977 | LLK |
| C9H8O3Cr+ | 8.3 ± 0.1 | 2CO | EI | Gilbert, Leach, et al., 1973 | LLK |
| Cr+ | 14.0 ± 0.1 | ? | EI | Gilbert, Leach, et al., 1973 | LLK |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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]
Al-Takhin, Connor, et al., 1984
Al-Takhin, G.; Connor, J.A.; Skinner, H.A.; Zaharani-Moettar, M.T.,
J. Organomet. Chem., 1984, 260, 189. [all data]
Al-Takhin, Connor, et al., 1984, 2
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]
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]
Simonneaux, Jaouen, et al., 1977
Simonneaux, G.; Jaouen, G.; Dabard, R.; Guenot, P.,
Contribution a l'etude des metaux asymetriques IV. Etude des complexes areniques du chrome(o) par spectroscopie de masse: modes de liaison du metal avec divers ligands a deux electrons: phosphines, phosphites, carbonyle et thiocarbonyle,
J. Organomet. Chem., 1977, 132, 231. [all data]
Gilbert, Leach, et al., 1973
Gilbert, J.R.; Leach, W.P.; Miller, J.R.,
Ionisation appearance potential measurements in arene chromium tricarbonyls,
J. Organomet. Chem., 1973, 49, 219. [all data]
Muller, 1969
Muller, J.,
Ionisierungspotentiale von substituierten Benzolchrom-tricarbonyl-Komplexen,
J. Organometal. Chem., 1969, 18, 321. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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