Ferrocene

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

Quantity Value Units Method Reference Comment
Δfsolid40.32 ± 0.55kcal/molReviewMartinho SimõesMS
Δfsolid33.7 ± 1.2kcal/molReviewMartinho SimõesMS
Δfsolid37.0 ± 1.1kcal/molReviewMartinho SimõesMS
Δfsolid37.8 ± 1.kcal/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
Δcsolid-1408.1 ± 1.0kcal/molCC-SBTel'noi and Rabinovich, 1977MS
Δcsolid-1411.4 ± 0.41kcal/molCC-SBTel'noi, Kirynov, et al., 1975Please also see Pedley and Rylance, 1977.; MS
Δcsolid-1404.8 ± 1.2kcal/molCC-SBCotton and Wilkinson, 1952Please also see Cox and Pilcher, 1970.; MS
Quantity Value Units Method Reference Comment
solid,1 bar50.633cal/mol*KN/AOgasahara, Sorai, et al., 1981DH
solid,1 bar51.67cal/mol*KN/AEdwards and Kington, 1962DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
45.306298.15Ogasahara, Sorai, et al., 1981T = 13 to 300 K.; DH
46.01298.Tomassetti, Curini, et al., 1981T = 293 to 393 K. Equation given.; DH
31.3200.Azokpota, Calvarin, et al., 1976T = 120 to 200 K.; DH
46.82298.16Edwards and Kington, 1962T = 0 to 300 K. Debye function used to evaluate heat capacity between 0 and 17 K.; DH

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.

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]


Notes

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