(Methylbenzene)tricarbonylchromium
- Formula: C10H8CrO3
- Molecular weight: 228.1648
- IUPAC Standard InChI: InChI=1S/C7H8.3CO.Cr/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H3;;;;
- IUPAC Standard InChIKey: KEXFCQUTYPQKCG-UHFFFAOYSA-N
- CAS Registry Number: 12083-24-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Chromium, tricarbonyl[η6-methylbenzene]; Toluene chromium tricarbonyl; Chromium, tricarbonyl[(1,2,3,4,5,6-η)-methylbenzene]-; Chromium, tricarbonyl(toluene)-; Toluenetricarbonylchromium; π-Toluenetricarbonylchromium; Toluentrikarbonylchromium; π-(Tricarbonylchromium)toluene; Tricarbonyl(methylbenzene)chromium; Tricarbonyl(toluene)chromium; Chromium,tricarbonyl[(1,2,3,4,5,6-η6)-methylbenzene]-; tricarbonyl[(1,2,3,4,5,6-η)-toluene]chromium
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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 | -475.7 ± 4.3 | kJ/mol | Review | Martinho Simões | |
| ΔfH°solid | -472.2 ± 4.1 | kJ/mol | Review | Martinho Simões | |
| ΔfH°solid | -432.1 ± 6.0 | kJ/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 by: José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 93.0 ± 2.0 | kJ/mol | HAL-HFC | Al-Takhin, Connor, et al., 1984 | Another value for the enthalpy of sublimation has been reported: 94.6 ± 4.2 kJ/mol Adedeji, Brown, et al., 1975 |
Gas phase ion energetics 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 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 |
|---|---|---|---|
| 6.6 ± 0.2 | EI | Davis, Ojo, et al., 1978 | LLK |
| 7.29 | CTS | Kobayashi, Kobayashi, et al., 1973 | LLK |
| 6.7 ± 0.1 | EI | Gilbert, Leach, et al., 1973 | LLK |
| 7.19 | EI | Muller, 1969 | RDSH |
| 7.39 ± 0.05 | CTS | Huttner and Fischer, 1967 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H8+ | 8.3 ± 0.1 | ? | EI | Gilbert, Leach, et al., 1973 | LLK |
| C7H8Cr+ | 10.1 ± 0.2 | 3CO | EI | Davis, Ojo, et al., 1978 | LLK |
| C7H8Cr+ | 10.0 ± 0.1 | 3CO | EI | Gilbert, Leach, et al., 1973 | LLK |
| C8H8OCr+ | 8.1 ± 0.1 | 2CO | EI | Gilbert, Leach, et al., 1973 | LLK |
| C9H8O2Cr+ | 7.1 ± 0.1 | CO | EI | Gilbert, Leach, et al., 1973 | LLK |
| Cr+ | 13.5 ± 0.2 | C6H5CH3+3C | EI | Davis, Ojo, et al., 1978 | LLK |
| Cr+ | 13.4 ± 0.1 | C6H5CH3+3C | EI | Gilbert, Leach, et al., 1973 | LLK |
References
Go To: Top, Condensed 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]
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]
Davis, Ojo, et al., 1978
Davis, R.; Ojo, I.A.; Webb, M.L.,
Mass spectrometry of transition-metal π-complexes, V.-Fragmentation and structure of chromium-coordinated [C7H8]+ and [C8H10]+ ions,
Org. Mass Spectrom., 1978, 13, 547. [all data]
Kobayashi, Kobayashi, et al., 1973
Kobayashi, H.; Kobayashi, M.; Kaizu, Y.,
Molecular complexes of arenetricarbonylchromium,
Bull. Chem. Soc. Jpn., 1973, 46, 3109. [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]
Huttner and Fischer, 1967
Huttner, G.; Fischer, E.O.,
Uber Aromatenkomplexe von Metallen. XCVIII. Spectroskopische Untersuchungen an Charge-Transfer-Komplexen von Aromaten-Chrom Tricarbonylen mit 1,3,5-Trinitrobenzol,
J. Organometal. Chem., 1967, 8, 299. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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