Manganese, tricarbonyl(η5-2,4-cyclopentadien-1-yl)-
- Formula: C8H5MnO3
- Molecular weight: 204.0615
- IUPAC Standard InChIKey: CZPHEHHRMHXAIK-UHFFFAOYSA-N
- CAS Registry Number: 12079-65-1
- 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, tricarbonyl-π-cyclopentadienyl-; π-Cyclopentadienylmanganese tricarbonyl; Cyclopentadienylmanganese tricarbonyl; Cyclopentadienyltricarbonylmanganese; Cymantrene; Manganese, cyclopentadienyltricarbonyl-; Tricarbonyl-π-cyclopentadienylmanganese; Tricarbonylcyclopentadienylmanganese; (η5-Cyclopentadienyl) manganese tricarbonyl; Cyklopentadientrikarbonylmanganium; MCT; Tricarbonyl(η5-cyclopentadienyl)manganese; tricarbonyl(η-cyclopentadienyl)manganese
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Phase change data
Go To: Top, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 350. | K | N/A | Chhor, Pommier, et al., 1983 | Crystal phase 1 phase; Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 17.2 ± 0.93 | kcal/mol | ME | Picciochi, Canongia Lopes, et al., 2008 | AC |
ΔsubH° | 18.2 ± 0.1 | kcal/mol | C | Picciochi, Canongia Lopes, et al., 2008 | AC |
ΔsubH° | 12.5 ± 0.74 | kcal/mol | CC-SB | Baev and Demyanchuck, 1970 | MS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.1 | 421. | Baev and Demyanchuck, 1970 | Based on data from 353. to 489. K.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
17.3 ± 0.93 | 294. | ME | Picciochi, Canongia Lopes, et al., 2008 | AC |
18.1 ± 0.1 | 305. | C | Picciochi, Canongia Lopes, et al., 2008 | AC |
12.6 ± 0.74 | 338. | N/A | Pilcher and Skinner, 1983 | Based on data from 323. to 353. K. See also Evstigneeva and Shmyreva, 1965 and Baev and Demyanchuck, 1970.; AC |
15.3 ± 2.8 | 339. | ME | Cordes and Schreiner, 1959 | Based on data from 335. to 343. K. See also Picciochi, Canongia Lopes, et al., 2008.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6128 | 350. | N/A | Chhor, Pommier, et al., 1983, 2 | DH |
4.52 | 350.1 | DSC | Picciochi, Canongia Lopes, et al., 2008 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13. | 350. | Chhor, Pommier, et al., 1983, 2 | DH |
Temperature of phase transition
Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|
75. to 135. | crystaline, II | crystaline, I | Chhor, Pommier, et al., 1983, 2 | S = <1 J/mol*K "Abnormally" high heat capacity.; DH |
Mass spectrum (electron ionization)
Go To: Top, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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 | Chemical Concepts |
NIST MS number | 149777 |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chhor, Pommier, et al., 1983
Chhor, K.; Pommier, C.; Diot, M.,
Low-temp. thermodynamic study of cymantrene (C5H5Mn(CO)3) and azacymantrene (C4H4NMn(CO)3),
Mol. Cryst. Liq. Cryst., 1983, 100, 193. [all data]
Picciochi, Canongia Lopes, et al., 2008
Picciochi, Ricardo; Canongia Lopes, Jose N.; Diogo, Herminio P.; Minas da Piedade, Manuel E.,
Experimental and Molecular Dynamics Simulation Study of the Sublimation Energetics of Cyclopentadienyltricarbonylmanganese (Cymantrene),
J. Phys. Chem. A, 2008, 112, 41, 10429-10434, https://doi.org/10.1021/jp805607d
. [all data]
Baev and Demyanchuck, 1970
Baev, A.K.; Demyanchuck, V.V.,
Obshch. Prikl. Khim., 1970, 3, 65. [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]
Evstigneeva and Shmyreva, 1965
Evstigneeva, E.V.; Shmyreva, G.O.,
Russ. J. Phys. Chem., 1965, 39, 529. [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]
Chhor, Pommier, et al., 1983, 2
Chhor, K.; Pommier, C.; Diot, M.,
Low-temperature thermodynamic study of cymantrene (C5H5Mn(CO)3) and azacymantrene (C4H4NMn(CO)3),
Mol. Cryst. Liq. Cryst., 1983, 100, 193-209. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Ttriple Triple point temperature Ttrs Temperature of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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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