Bicyclo[4.1.0]heptane

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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
Δfgas0.4 ± 1.0kcal/molCcbChang, McNally, et al., 1970ALS
Δfgas2.63kcal/molN/ATimofeeva, Kozina, et al., 1970Value computed using ΔfHliquid° value of -27.0±1.7 kj/mol from Timofeeva, Kozina, et al., 1970 and ΔvapH° value of 38.0 kj/mol from Chang, McNally, et al., 1970.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
28.671298.15Chang S., 1970These values were calculated by a method of force field; their uncertainties may exceed 5-10 J/mol*K.; GT
39.369400.
48.850500.

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
Δfliquid-8.7 ± 0.8kcal/molCcbChang, McNally, et al., 1970 
Δfliquid-6.45 ± 0.41kcal/molCcbTimofeeva, Kozina, et al., 1970 
Quantity Value Units Method Reference Comment
Δcliquid-1059.5 ± 0.6kcal/molCcbChang, McNally, et al., 1970Corresponding Δfliquid = -8.7 kcal/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-1061.80 ± 0.40kcal/molCcbTimofeeva, Kozina, et al., 1970Corresponding Δfliquid = -6.45 kcal/mol (simple calculation by NIST; no Washburn corrections)

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.

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]

Timofeeva, Kozina, et al., 1970
Timofeeva, L.P.; Kozina, M.P.; Skuratov, S.M.; Nefedov, O.M.; Novitskaya, N.N., Heats of combustion of norcarane and 1-cyclohexylnorcarane, Moscow Univ. Chem. Bull. (Engl. Transl.), 1970, 25, 19-21. [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]


Notes

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