Ferrocene, benzoyl-

• Formula: C₁₇H₁₄FeO
• Molecular weight: 290.137
• IUPAC Standard InChI: InChI=1S/C12H9O.C5H5.Fe/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;/h1-9H;1-5H; Copy

  
• IUPAC Standard InChIKey: JJHHJZCYDPLHIL-UHFFFAOYSA-N Copy
• CAS Registry Number: 1272-44-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Ketone, ferrocenyl phenyl; Benzoyl ferrocene; Benzoyldicyclopentadienyliron; Ferrecenophenone; Iron(II), (benzoylcyclopentadienyl)cyclopentadienyl-; Methanone, ferrocenylphenyl-; Monobenzoylferrocene; Ferrocenyl phenyl ketone; NSC 54800
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of solid

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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões

Enthalpy of fusion

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Tomassetti, Curini, et al., 1981
Tomassetti, M.; Curini, R.; D'Ascenzo, G.; Ortaggi, G., Heat capacities of ferrocene, acetyl-, 1,1'-diacetyl-, benzoyl-, and 1,1'-dibenzoylferrocene by DSC, Thermochim. Acta, 1981, 48, 333-341. [all data]

Emel'yanenko, Verevkin, et al., 2007
Emel'yanenko, Vladimir N.; Verevkin, Sergey P.; Krol, Olesya V.; Varushchenko, Raisa M.; Chelovskaya, Nelly V., Vapour pressures and enthalpies of vaporization of a series of the ferrocene derivatives, The Journal of Chemical Thermodynamics, 2007, 39, 4, 594-601, https://doi.org/10.1016/j.jct.2006.09.001 . [all data]

Pelino, Gigli, et al., 1983
Pelino, M.; Gigli, R.; Tomassetti, M., Thermochim. Acta, 1983, 61, 301. [all data]

Pelino, Gigli, et al., 1983, 2
Pelino, M.; Gigli, R.; Tomassetti, M., Thermodynamic properties of benzoylferrocene and 1,1´-dibenzoylferrocene, Thermochimica Acta, 1983, 61, 3, 301-305, https://doi.org/10.1016/0040-6031(83)80284-6 . [all data]

Krol, Druzhinina, et al., 2008
Krol, Olesya V.; Druzhinina, Anna I.; Varushchenko, Raisa M.; Dorofeeva, Olga V.; Reshetova, Marina D.; Borisova, Nataliya E., The heat capacities and thermodynamic functions of some derivatives of ferrocene, The Journal of Chemical Thermodynamics, 2008, 40, 4, 549-557, https://doi.org/10.1016/j.jct.2007.12.003 . [all data]

Notes

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• Symbols used in this document:
  

  Cp,solid	Constant pressure heat capacity of solid
  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy of fusion
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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