Manganocene

Formula: C₁₀H₁₀Mn
Molecular weight: 185.1244
IUPAC Standard InChI: InChI=1S/2C5H5.Mn/c2*1-2-4-5-3-1;/h2*1-5H;
IUPAC Standard InChIKey: QROCSKKOEBOLQO-UHFFFAOYSA-N
CAS Registry Number: 73138-26-8
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.
Species with the same structure:
- Mangese,bis-Cyclopentadienyl
Other names: Manganese, bis(η5-cyclopentadienyl); Manganese dicyclopentadienide
Information on this page:
Other data available:
- Gas phase ion energetics data
- Mass spectrum (electron ionization)
Data at other public NIST sites:
- X-ray Photoelectron Spectroscopy Database, version 5.0
Options:
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Gas phase thermochemistry data

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Data compiled by: José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	66.18 ± 0.72	kcal/mol	Review	Martinho Simões
Δ_fH°_gas	65.42 ± 0.62	kcal/mol	Review	Martinho Simões

Condensed phase thermochemistry data

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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
Δ_fH°_solid	48.09 ± 0.60	kcal/mol	Review	Martinho Simões	MS
Δ_fH°_solid	47.3 ± 0.5	kcal/mol	CC-SB	Chipperfield, Sneyd, et al., 1979	Value corrected based on a set of ancillary data by J.A. Martinho Sim�es; The value for the enthalpy of combustion is not reported in Chipperfield, Sneyd, et al., 1979.; MS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_solid	-1440.7 ± 0.50	kcal/mol	CC-SB	Tel'noi, Kirynov, et al., 1975	Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	60.11	cal/mol*K	N/A	Rabinovich, Nistratov, et al., 1978	DH
S°_{solid,1 bar}	60.09	cal/mol*K	N/A	Rabinovich, Nistratov, et al., 1975	DH

Constant pressure heat capacity of solid

C_p,solid (cal/mol*K)	Temperature (K)	Reference	Comment
49.81	298.15	Rabinovich, Nistratov, et al., 1978	T = 5 to 300 K.; DH
49.83	298.15	Rabinovich, Nistratov, et al., 1975	T = 5 to 298.15 K.; DH

Phase change data

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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
Δ_subH°	18.1 ± 0.41	kcal/mol	CC-SB	Pilcher and Skinner, 1982	Another literature value for the enthalpy of sublimation has been reported: 17.3 kcal/mol Wilkinson, Cotton F.A., et al., 1956; MS

Enthalpy of phase transition

ΔH_trs (kcal/mol)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
0.0098	55. to 75.	crystaline, II	crystaline, I	Rabinovich, Nistratov, et al., 1975	Lambda transition.; DH

Entropy of phase transition

ΔS_trs (cal/mol*K)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
0.15	55. to 75.	crystaline, II	crystaline, I	Rabinovich, Nistratov, et al., 1975	Lambda; DH

References

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

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

Tel'noi, Kirynov, et al., 1975
Tel'noi, V.I.; Kirynov, K.V.; Ermolaev, V.I.; Rabinovich, I.B., Dokl. Akad. Nauk SSSR, 1975, 220, 1088. [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]

Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1977, 46, 689. [all data]

Rabinovich, Nistratov, et al., 1978
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Burchalova, G.V., Heat capacities of dicyclopentadienyl compounds of vanadium, chromium, manganese, cobalt, and nickel, J. Chem. Thermodynam., 1978, 10, 523-536. [all data]

Rabinovich, Nistratov, et al., 1975
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Burchalova, G.V., Heat capacity and transitions in solid state. Dicyclopentadienyl compounds of transition elements,Quatrieme Conference International de Thermodynamique Chimique II, Thermophysiques (capacites thermiques) pp., 1975, 69-76, 136. [all data]

Pilcher and Skinner, 1982
Pilcher, G.; Skinner, H.A., In The Chemistry of the Metal-Carbon Bond Wiley: New York, Hartley, F. R.; Patai, S., ed(s)., 1982. [all data]

Wilkinson, Cotton F.A., et al., 1956
Wilkinson, G.; Cotton F.A.; Birmingham, J.M., J. Inorg. Nucl. Chem., 1956, 2, 95. [all data]

Notes

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Symbols used in this document:

C_p,solid	Constant pressure heat capacity of solid
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
ΔH_trs	Enthalpy of phase transition
ΔS_trs	Entropy of phase transition
Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions
Δ_subH°	Enthalpy of sublimation at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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