Manganese, pentacarbonylmethyl-
- Formula: C6H3MnO5
- Molecular weight: 210.0231
- IUPAC Standard InChI: InChI=1S/5CO.CH3.Mn/c5*1-2;;/h;;;;;1H3;
- IUPAC Standard InChIKey: KJJLHDHVFFAISC-UHFFFAOYSA-N
- CAS Registry Number: 13601-24-6
- 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: Manganese, pentacarbonylmethyl-, (OC-6-21)-; Methyl pentacarbonylmanganese; Methylmanganese pentacarbonyl; Pentacarbonylmethylmanganese; CH3(CO)5Mn
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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 | -181. ± 1. | kcal/mol | Review | Martinho Simões | |
| ΔfH°gas | -179.5 ± 0.98 | kcal/mol | Review | Martinho Simões | Selected data |
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 | -193.9 ± 0.88 | kcal/mol | Review | Martinho Simões | Selected data |
| ΔfH°solid | -195. ± 1. | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | Value corrected based on a set of ancillary data by J.A. Martinho Simões; Please also see Brown, Connor, et al., 1974. |
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
(g) = C5MnO5 (g) +
(g)
By formula: C6H3MnO5 (g) = C5MnO5 (g) + CH4 (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 45.9 ± 3.6 | kcal/mol | PIMS | Martinho Simões and Beauchamp, 1990 | The reaction enthalpy was derived from the appearance energy of Mn(CO)5(+), 224.8 ± 1.1 kcal/mol, using Mn(CO)5(Me) as the neutral precursor, together with the adiabatic ionization energy of Mn(CO)5 radical, 179. ± 3.3 kcal/mol Martinho Simões and Beauchamp, 1990 |
(solution) +
(solution) =
(solution)
By formula: C6H3MnO5 (solution) + CO (solution) = C7H3MnO6 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -13.4 ± 1.0 | kcal/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Tetrahydrofuran |
| ΔrH° | -12.6 | kcal/mol | EqS | Calderazzo, 1977 | solvent: 2,2'-diethoxydiethyl ether |
(cr) + 1.5
(g) =
(cr) + 5
(g) +
(g)
By formula: C6H3MnO5 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 5CO (g) + CH3Br (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -50.0 ± 0.7 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 |
(cr) =
(g) +
(g)
By formula: C7H3MnO6 (cr) = C6H3MnO5 (g) + CO (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 28.5 ± 0.2 | kcal/mol | TD-HFC | Connor, Zafarani-Moattar, et al., 1982 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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]
Connor, Zafarani-Moattar, et al., 1982
Connor, J.A.; Zafarani-Moattar, M.T.; Bickerton, J.; El-Saied, N.I.; Suradi, S.; Carson, R.; Al Takkhin, G.; Skinner, H.A.,
Organomet., 1982, 1, 1166. [all data]
Brown, Connor, et al., 1974
Brown, D.L.S.; Connor, J.A.; Skinner, H.A.,
J. Organometal. Chem., 1974, 81, 403. [all data]
Martinho Simões and Beauchamp, 1990
Martinho Simões, J.A.; Beauchamp, J.L.,
Chem. Rev., 1990, 90, 629. [all data]
Nolan, López de la Vega, et al., 1986
Nolan, S.P.; López de la Vega, R.; Hoff, C.D.,
J. Am. Chem. Soc., 1986, 108, 7852. [all data]
Calderazzo, 1977
Calderazzo, F.,
Angew. Chem. Int. Ed. Engl., 1977, 16, 299. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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