Ferrocene
- Formula: C10H10Fe
- Molecular weight: 186.031
- IUPAC Standard InChIKey: DFRHTHSZMBROSH-UHFFFAOYSA-N
- CAS Registry Number: 102-54-5
- 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:
- Other names: Bis(η-cyclopentadienyl) iron; Bis(cyclopentadienyl)iron; Di(π-cyclopentadienyl)iron; Di-2,4-cyclopentadien-1-yliron; Dicyclopentadienyl iron; Ferrotsen; Iron dicyclopentadienyl; Iron, bis(η5-2,4-cyclopentadien-1-yl)-; Iron, bis(η5-cyclopentadienyl); Iron bis(cyclopentadienide); NSC 2033; Catane
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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 | 57.93 ± 0.60 | kcal/mol | Review | Martinho Simões | |
ΔfH°gas | 51.3 ± 1.3 | kcal/mol | Review | Martinho Simões | |
ΔfH°gas | 54.6 ± 1.1 | kcal/mol | Review | Martinho Simões | |
ΔfH°gas | 55.38 ± 0.98 | kcal/mol | Review | Martinho Simões |
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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - 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
By formula: C10H10Fe+ + C10H10Fe = (C10H10Fe+ • C10H10Fe)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.9 | 253. | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
C30H28Fe2Ti (cr) + 2( • 4.40) (solution) = 2 (cr) + (cr)
By formula: C30H28Fe2Ti (cr) + 2(HCl • 4.40H2O) (solution) = 2C10H10Fe (cr) + C10H10Cl2Ti (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -60.6 ± 1.1 | kcal/mol | RSC | Dias, Salema, et al., 1982 | Please also see Calhorda, Dias, et al., 1987.; MS |
References
Go To: Top, Gas 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]
Meot-Ner (Mautner), 1989
Meot-Ner (Mautner), M.,
Ion DChemistry of Ferrocene. Thermochemistry of Ionization and Protonation and Solvent Clustering. Slow and Entropy - Driven Proton - Transfer Kinetics,
J. Am. Chem. Soc., 1989, 111, 8, 2830, https://doi.org/10.1021/ja00190a014
. [all data]
Dias, Salema, et al., 1982
Dias, A.R.; Salema, M.S.; Martinho Simões, J.A.,
Organometallics, 1982, 1, 971. [all data]
Calhorda, Dias, et al., 1987
Calhorda, M.J.; Dias, A.R.; Minas da Piedade M.E.; Salema, M.S.; Martinho Simões J.A.,
Organometallics, 1987, 6, 734. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
T Temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction 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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