2,2-Metaparacyclophane

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas52.18 ± 0.73kcal/molCcbShieh, McNally, et al., 1969 

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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfsolid31.26 ± 0.51kcal/molCcbShieh, McNally, et al., 1969 
Quantity Value Units Method Reference Comment
Δcsolid-2082.63 ± 0.31kcal/molCcbShieh, McNally, et al., 1969Corresponding Δfsolid = 31.29 kcal/mol (simple calculation by NIST; no Washburn corrections)

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub20.9 ± 0.5kcal/molVShieh, McNally, et al., 1969ALS
Δsub20.9kcal/molN/AShieh, McNally, et al., 1969DRB
Δsub20.9 ± 0.2kcal/molMEShieh, McNally, et al., 1969See also Pedley and Rylance, 1977.; AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
20.7336.MEShieh, McNally, et al., 1969Based on data from 311. to 328. K. See also Pedley and Rylance, 1977 and Stephenson and Malanowski, 1987.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
3.050354.Shieh, McNally, et al., 1969AC

References

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

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

Shieh, McNally, et al., 1969
Shieh, C.; McNally, D.; Boyd, R.H., The heats of combustion and strain energies of some cyclophanes, Tetrahedron, 1969, 3653-3665. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., , Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]


Notes

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