Bicyclo[4.1.0]heptane

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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. to 385. K. See also Chang, McNally, et al., 1970.; AC
8.72348.AStephenson and Malanowski, 1987Based on data from 333. to 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:


Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C7H12+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.03 ± 0.02EIWinters and Collins, 1968RDSH
9.46PEHeilbronner, Gleiter, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3+12.53 ± 0.12?EIWinters and Collins, 1968RDSH
C3H5+11.90 ± 0.10?EIWinters and Collins, 1968RDSH
C4H5+12.42 ± 0.10?EIWinters and Collins, 1968RDSH
C4H6+10.10 ± 0.09?EIWinters and Collins, 1968RDSH
C4H7+10.27 ± 0.08?EIWinters and Collins, 1968RDSH
C5H7+9.53 ± 0.07C2H5EIWinters and Collins, 1968RDSH
C5H8+9.37 ± 0.07C2H4EIWinters and Collins, 1968RDSH
C6H9+9.30 ± 0.09CH3EIWinters and Collins, 1968RDSH

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]

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]

Winters and Collins, 1968
Winters, R.E.; Collins, J.H., Mass spectrometric studies of structural isomers. I. Mono- and bicyclic C7H12 molecules, J. Am. Chem. Soc., 1968, 90, 1235. [all data]

Heilbronner, Gleiter, et al., 1973
Heilbronner, E.; Gleiter, R.; Hoshi, T.; Meijere, A., The interaction of Walsh-orbitals in diademane and related hydrocarbons, Helv. Chim. Acta, 1973, 56, 1594. [all data]


Notes

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