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Ferrocene

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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
Deltafgas242.4 ± 2.5kJ/molReviewMartinho Simões 
Deltafgas214.8 ± 5.3kJ/molReviewMartinho Simões 
Deltafgas228.6 ± 4.6kJ/molReviewMartinho Simões 
Deltafgas231.7 ± 4.1kJ/molReviewMartinho Simões 

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
Deltafsolid168.7 ± 2.3kJ/molReviewMartinho SimõesMS
Deltafsolid141.1 ± 5.2kJ/molReviewMartinho SimõesMS
Deltafsolid154.9 ± 4.5kJ/molReviewMartinho SimõesMS
Deltafsolid158. ± 4.kJ/molCC-SBChipperfield, Sneyd, et al., 1979Value corrected based on a set of ancillary data by J.A. Martinho Simões; MS
Quantity Value Units Method Reference Comment
Deltacsolid-5891.5 ± 4.2kJ/molCC-SBTel'noi and Rabinovich, 1977MS
Deltacsolid-5905.3 ± 1.7kJ/molCC-SBTel'noi, Kirynov, et al., 1975Please also see Pedley and Rylance, 1977.; MS
Deltacsolid-5877.7 ± 5.0kJ/molCC-SBCotton and Wilkinson, 1952Please also see Cox and Pilcher, 1970.; MS
Quantity Value Units Method Reference Comment
solid,1 bar211.85J/mol*KN/AOgasahara, Sorai, et al., 1981DH
solid,1 bar216.2J/mol*KN/AEdwards and Kington, 1962DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
189.56298.15Ogasahara, Sorai, et al., 1981T = 13 to 300 K.; DH
192.5298.Tomassetti, Curini, et al., 1981T = 293 to 393 K. Equation given.; DH
131.200.Azokpota, Calvarin, et al., 1976T = 120 to 200 K.; DH
195.9298.16Edwards and Kington, 1962T = 0 to 300 K. Debye function used to evaluate heat capacity between 0 and 17 K.; DH

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

C10H10Fe+ + Ferrocene = (C10H10Fe+ bullet Ferrocene)

By formula: C10H10Fe+ + C10H10Fe = (C10H10Fe+ bullet C10H10Fe)

Quantity Value Units Method Reference Comment
Deltar50.kJ/molPHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, «DELTA»rH<, DG<; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/AMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, «DELTA»rH<, DG<; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
29.253.PHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, «DELTA»rH<, DG<; M

C30H28Fe2Ti (cr) + 2(Hydrogen chloride bullet 4.40Water) (solution) = 2Ferrocene (cr) + Titanocene dichloride (cr)

By formula: C30H28Fe2Ti (cr) + 2(HCl bullet 4.40H2O) (solution) = 2C10H10Fe (cr) + C10H10Cl2Ti (cr)

Quantity Value Units Method Reference Comment
Deltar-253.5 ± 4.5kJ/molRSCDias, Salema, et al., 1982Please also see Calhorda, Dias, et al., 1987.; MS

References

Go To: Top, Gas phase thermochemistry data, Condensed 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]

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

Cotton and Wilkinson, 1952
Cotton, F.A.; Wilkinson, G., J. Am. Chem. Soc., 1952, 74, 5764. [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]

Ogasahara, Sorai, et al., 1981
Ogasahara, K.; Sorai, M.; Suga, H., Thermodynamic properties of ferrocene crystal, Mol. Cryst. Liq. Cryst., 1981, 71, 189-211. [all data]

Edwards and Kington, 1962
Edwards, J.W.; Kington, G.L., Thermodynamic properties of ferrocene. Part 3. Thermodynamic functions from 0 to 300°K, Trans. Faraday Soc., 1962, 58, 1334-1340. [all data]

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]

Azokpota, Calvarin, et al., 1976
Azokpota, C.; Calvarin, G.; Pommier, C., Heat capacity of molecular compounds with order-disorder transition: nickelocene, Ni(C5H5)2, and ferrocene, Fe(C5H5)2, J. Chem. Thermodynam., 1976, 8, 283-287. [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, Condensed phase thermochemistry data, Reaction thermochemistry data, References