Bicyclo[3.1.0]hexane

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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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas39. ± 3.kJ/molCcbChang, McNally, et al., 1970ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
100.50298.15Chang S., 1970These values were calculated by a method of force field; their uncertainties may exceed 5-10 J/mol*K.; GT
137.99400.
171.21500.

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
Δfliquid5. ± 3.kJ/molCcbChang, McNally, et al., 1970 
Quantity Value Units Method Reference Comment
Δcliquid-3795. ± 2.kJ/molCcbChang, McNally, et al., 1970Corresponding Δfliquid = 5.0 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-3818.kJ/molCcbKonovalon, 1926Heat of combustion at 15°C; Corresponding Δfliquid = 28. kJ/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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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
Tboil355.KN/ASimmons and Smith, 1959Uncertainty assigned by TRC = 2. K; TRC
Tboil353.77KN/AAnonymous, 1949Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus195.49KN/AAnonymous, 1949Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Δvap33.5 ± 0.4kJ/molVChang, McNally, et al., 1970ALS
Δvap34.0kJ/molN/AChang, McNally, et al., 1970DRB
Δvap33.5 ± 0.4kJ/molN/AChang, McNally, et al., 1970AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
33.7286.AStephenson and Malanowski, 1987Based on data from 273. to 300. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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.

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]

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]

Konovalon, 1926
Konovalon, D.-P., Sur Les Chaleurs de Combustion de Quelques hydrocarbures cycliques, J. Chim. Phys., 1926, 23, 359-362. [all data]

Simmons and Smith, 1959
Simmons, H.E.; Smith, R.D., A New Synthesis of Cyclopropanes, J. Am. Chem. Soc., 1959, 81, 4256. [all data]

Anonymous, 1949
Anonymous, R., , Am. Pet. Inst. Res. Proj. 45, Ohio State Univ., 1949. [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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