cis-Bicyclo[6.1.0]nonane

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-4.96 ± 0.27kcal/molCcbWiberg, Lupton, et al., 1984Author was aware that data differs from previously reported values; see Lupton, 1970; ALS
Δfgas-5.02kcal/molN/AWiberg, 1980Value computed using ΔfHliquid° value of -70.0±1.0 kj/mol from Wiberg, 1980 and ΔvapH° value of 49.0 kj/mol from Chang, McNally, et al., 1970.; DRB
Δfgas-7.46 ± 0.69kcal/molCcbCorbally and Perkins, 1978Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -7.29 ± 0.91 kcal/mol; ALS
Δfgas-7.6 ± 1.0kcal/molCcbChang, McNally, et al., 1970ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
38.131298.15Chang S., 1970These values were calculated by a method of force field; their uncertainties may exceed 5-10 J/mol*K.; GT
52.199400.
64.739500.

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-16.76 ± 0.25kcal/molCcbWiberg, Lupton, et al., 1984Author was aware that data differs from previously reported values; see Lupton, 1970; ALS
Δfliquid-16.73 ± 0.23kcal/molCcbWiberg, 1980Heat of combustion is not reported; ALS
Δfliquid-19.2 ± 0.88kcal/molCcbCorbally and Perkins, 1978ALS
Δfliquid-19.4 ± 0.8kcal/molCcbChang, McNally, et al., 1970ALS
Quantity Value Units Method Reference Comment
Δcliquid-1376.25 ± 0.22kcal/molCcbWiberg, Lupton, et al., 1984Author was aware that data differs from previously reported values; see Lupton, 1970; Corresponding Δfliquid = -16.73 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1373.6 ± 0.6kcal/molCcbChang, McNally, et al., 1970Corresponding Δfliquid = -19.4 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
56.19315.Chang, McNally, et al., 1970DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes

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
Δvap11.8 ± 0.1kcal/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
12.0 ± 0.2312.AStephenson and Malanowski, 1987Based on data from 297. to 360. K. See also Chang, McNally, et al., 1970.; AC

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.

Wiberg, Lupton, et al., 1984
Wiberg, K.B.; Lupton, E.C., Jr.; Wasserman, D.J.; de Meijere, A., Enthalpies of formation of cis- and trans-1,2-diethylcyclopropane and cis- and trans-bicyclo[6.1.0]nonane. Structural effects on energies of cyclopropane rings, J. Am. Chem. Soc., 1984, 106, 1740-1744. [all data]

Lupton, 1970
Lupton, E.C., Jr., The thermochemistry of some small ring compounds, Diss. Abs., 1970, 31, 1174-1175. [all data]

Wiberg, 1980
Wiberg, K.B., Energies of organic compounds, Rept. DOE-E(11-1)4060 Prepared for US Dept. of Energy by Yale Univ., New Haven, CT. Avail. NTIS, 1980, 1-24. [all data]

Chang, McNally, et al., 1970
Chang, Sho-ju.; McNally, D.; Shary-Tehrany, S.; Hickey, S.M.J.; Boyd, R.H., The heats of combustion and strain energies of bicylo[n.m.O]alkanes, J. Am. Chem. Soc., 1970, 92, 3109-3118. [all data]

Corbally and Perkins, 1978
Corbally, R.P.; Perkins, M.J., Standard enthalpies of formation of cis- and trans- bicyclo[6.1.0]nonanes, J. Chem. Soc. Chem. Commun., 1978, 778-779. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Chang S., 1970
Chang S., The heats of combustion and strain energies of bicyclo[n.m.0]alkanes, J. Am. Chem. Soc., 1970, 92, 3109-3118. [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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