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Manganese, tricarbonyl(«eta»5-2,4-cyclopentadien-1-yl)-

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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
Deltafgas-113.2 ± 1.3kcal/molReviewMartinho Simões 
Deltafgas-117.2 ± 2.2kcal/molReviewMartinho Simões 
Deltafgas-102. ± 0.7kcal/molReviewMartinho Simões 
Deltafgas-115.2 ± 2.2kcal/molReviewMartinho SimõesSelected data. Average of the values from Evstigneeva and Shmyreva, 1965 and Lautsch, Erzberger, et al., 1958

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 as indicated in comments:
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid-125.7 ± 1.1kcal/molReviewMartinho SimõesMS
Deltafsolid-129.7 ± 2.0kcal/molReviewMartinho SimõesMS
Deltafsolid-127.7 ± 2.0kcal/molReviewMartinho SimõesSelected data. Average of the values from Evstigneeva and Shmyreva, 1965 and Lautsch, Erzberger, et al., 1958; MS
Deltafsolid-114. ± 0.2kcal/molCC-SBChipperfield, Sneyd, et al., 1979Value corrected based on a set of ancillary data by J.A. Martinho Simões; The value for the enthalpy of combustion is not reported in Chipperfield, Sneyd, et al., 1979; MS
Quantity Value Units Method Reference Comment
Deltacsolid-922.1 ± 1.0kcal/molCC-SBEvstigneeva and Shmyreva, 1965Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS
Deltacsolid-918.1 ± 2.0kcal/molCC-SBLautsch, Tröber, et al., 1963Please also see Lautsch, Erzberger, et al., 1958, Pedley and Rylance, 1977, and Cox and Pilcher, 1970.; MS
Quantity Value Units Method Reference Comment
solid,1 bar61.986cal/mol*KN/AChhor, Pommier, et al., 1983DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
51.336298.15Chhor, Pommier, et al., 1983T = 10 to 300 K.; DH

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:
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
Ttriple350.KN/AChhor, Pommier, et al., 1983, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Deltasub17.2 ± 0.93kcal/molMEPicciochi, Canongia Lopes, et al., 2008AC
Deltasub18.2 ± 0.1kcal/molCPicciochi, Canongia Lopes, et al., 2008AC
Deltasub12.5 ± 0.74kcal/molCC-SBBaev and Demyanchuck, 1970MS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Reference Comment
12.1421.Baev and Demyanchuck, 1970Based on data from 353. - 489. K.; AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
17.3 ± 0.93294.MEPicciochi, Canongia Lopes, et al., 2008AC
18.1 ± 0.1305.CPicciochi, Canongia Lopes, et al., 2008AC
12.6 ± 0.74338.N/APilcher and Skinner, 1983Based on data from 323. - 353. K. See also Evstigneeva and Shmyreva, 1965 and Baev and Demyanchuck, 1970.; AC
15.3 ± 2.8339.MECordes and Schreiner, 1959Based on data from 335. - 343. K. See also Picciochi, Canongia Lopes, et al., 2008.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
4.6128350.N/AChhor, Pommier, et al., 1983DH
4.52350.1DSCPicciochi, Canongia Lopes, et al., 2008AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
13.350.Chhor, Pommier, et al., 1983DH

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
75. - 135.crystaline, IIcrystaline, IChhor, Pommier, et al., 1983S = <1 J/mol*K "Abnormally" high heat capacity.; DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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 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

Manganese, tricarbonyl(η5-2,4-cyclopentadien-1-yl)- (solution) + Heptane (solution) = C14H21MnO2 (solution) + Carbon monoxide (solution)

By formula: C8H5MnO3 (solution) + C7H16 (solution) = C14H21MnO2 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar47. ± 2.kcal/molAVGN/AAverage of 18 values; Individual data points

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass 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

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

Evstigneeva and Shmyreva, 1965
Evstigneeva, E.V.; Shmyreva, G.O., Russ. J. Phys. Chem., 1965, 39, 529. [all data]

Lautsch, Erzberger, et al., 1958
Lautsch, W.F.; Erzberger, P.; Tröber, A., Wiss. Z. Tech. Hochsch. Chem. Leuna-Merseburg, 1958, 1, 31. [all data]

Chipperfield, Sneyd, et al., 1979
Chipperfield, J.R.; Sneyd, J.C.R.; Webster, D.E., J. Organometal. Chem., 1979, 178, 177. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Lautsch, Tröber, et al., 1963
Lautsch, W.F.; Tröber, A.; Zimmer, W.; Mehner, L.; Linck, W.; Lehmann, H.M.; Brandenberger, H.; Korner, H.; Metschker, H.-J.; Wagner, K.; Kaden, R., Z. Chem., 1963, 3, 415. [all data]

Chhor, Pommier, et al., 1983
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]

Chhor, Pommier, et al., 1983, 2
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]

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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References