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)

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil383.KN/ABuckingham and Donaghy, 1982BS
Tboil389.KN/ADoering and Hoffman, 1964Uncertainty assigned by TRC = 3. K; TRC
Tboil389.KN/ASimmons and Smith, 1959Uncertainty assigned by TRC = 2. K; TRC
Tboil389.KN/ASimmons and Smith, 1959Uncertainty assigned by TRC = 2. K; TRC
Tboil389.KN/ADoering and Hoffman, 1954Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Δvap9.70 ± 0.05kcal/molN/AOsmont, Catoire, et al., 2008AC
Δvap9.1 ± 0.2kcal/molVChang, McNally, et al., 1970ALS
Δvap9.08kcal/molN/AChang, McNally, et al., 1970DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
9.1 ± 0.2313.AStephenson and Malanowski, 1987Based on data from 298. - 385. K. See also Chang, McNally, et al., 1970.; AC
8.72348.AStephenson and Malanowski, 1987Based on data from 333. - 385. 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:


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin CONTINENTAL OIL CO., PONCA CITY, OKLA, USA
NIST MS number 27633

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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]

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]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Doering and Hoffman, 1964
Doering, W. vonE.; Hoffman, A.K., The Addition of Dichlorocarbene to Olefins, J. Am. Chem. Soc., 1964, 76, 6162-5. [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]

Doering and Hoffman, 1954
Doering, W. vonE.; Hoffman, A.K., J. Am. Chem. Soc., 1954, 76, 6162. [all data]

Osmont, Catoire, et al., 2008
Osmont, Antoine; Catoire, Laurent; Gokalp, Iskender, Physicochemical Properties and Thermochemistry of Propellanes, Energy Fuels, 2008, 22, 4, 2241-2257, https://doi.org/10.1021/ef8000423 . [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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