7-Oxabicyclo[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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-125.5 ± 1.1kJ/molCcbKozina, Timofeeva, et al., 1988See Timofeeva, Lukyanova, et al., 1984
Δfgas-122.2 ± 2.2kJ/molCcbAndruzzi, Li, et al., 1987 

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-166.0 ± 1.1kJ/molCcbKozina, Timofeeva, et al., 1988See Timofeeva, Lukyanova, et al., 1984; ALS
Δfliquid-165.3 ± 1.0kJ/molCcbAndruzzi, Li, et al., 1987ALS
Quantity Value Units Method Reference Comment
Δcliquid-3624.2 ± 1.0kJ/molCcbKozina, Timofeeva, et al., 1988See Timofeeva, Lukyanova, et al., 1984; Corresponding Δfliquid = -166.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-3624.9 ± 0.6kJ/molCcbAndruzzi, Li, et al., 1987Corresponding Δfliquid = -165.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid221.98J/mol*KN/ANakamura, Suga, et al., 1980DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
166.12300.Nakamura, Suga, et al., 1980T = 13 to 300 K. Unsmoothed experimental datum for Cp at 296.96 K is 164.98 J/mol*K.; DH

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil402.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil404.7KN/AWeast and Grasselli, 1989BS
Tboil402. to 403.KN/AFrinton Laboratories Inc., 1986BS
Quantity Value Units Method Reference Comment
Ttriple238.14KN/ANakamura, Suga, et al., 1980, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Δvap40.5 ± 0.2kJ/molCKozina, Timofeeva, et al., 1988See Timofeeva, Lukyanova, et al., 1984; ALS
Δvap40.5kJ/molN/AKozina, Timofeeva, et al., 1988DRB
Δvap43.2 ± 2.0kJ/molEAndruzzi, Li, et al., 1987ALS
Δvap43.1kJ/molN/AAndruzzi, Li, et al., 1987DRB

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
1.06238.1Nakamura, Suga, et al., 1980Based on data from 10. to 300. K.; AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
49.38193.1Nakamura, Suga, et al., 1980, 2CAL
4.47238.1

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
9.5351193.10crystaline, IIcrystaline, INakamura, Suga, et al., 1980DH
1.0645238.14crystaline, IliquidNakamura, Suga, et al., 1980DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
49.39193.10crystaline, IIcrystaline, INakamura, Suga, et al., 1980DH
4.470238.14crystaline, IliquidNakamura, Suga, et al., 1980DH

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C6H10O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)848.1kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity815.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.82EIAlai and Rye, 1984LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H7O+9.90CH3EIAlai and Rye, 1984LBLHLM

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kozina, Timofeeva, et al., 1988
Kozina, M.P.; Timofeeva, L.P.; Luk'Yanova, V.A.; Pimenova, S.M.; Kas'yan, L.I., Enthalpies of formation and some alicyclic epoxy compounds, Russ. J. Phys. Chem. (Engl. Transl.), 1988, 62, 609-612. [all data]

Timofeeva, Lukyanova, et al., 1984
Timofeeva, L.P.; Lukyanova, V.A.; Kozina, M.P.; Stepanova, N.V., Enthalpies of combustion and formation of some epoxides of cyclic alkenes, Probl. Kalorim. Khim. Termodin., Dokl. Vses. Konf., 10th, 1984, 1, 193-195. [all data]

Andruzzi, Li, et al., 1987
Andruzzi, F.; Li, S.; Pilcher, G.; Heatley, F., Enthalpy of polymerisation of 7-oxabicyclo[4.1.0]heptane, Makromol. Chem., 1987, 188, 2643-2650. [all data]

Nakamura, Suga, et al., 1980
Nakamura, N.; Suga, H.; Seki, S., Calorimetric study on orientationally disordered crystals. Cyclohexene oxide and cyclohexanone, Bull. Chem. Soc. Japan, 1980, 53(10), 2755-2761. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Frinton Laboratories Inc., 1986
Frinton Laboratories Inc., Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]

Nakamura, Suga, et al., 1980, 2
Nakamura, N.; Suga, H.; Seki, S., Calorimetric study on orientationally disordered crystals. Cyclohexene oxide and cyclohexanone., Bull. Chem. Soc. Japan, 1980, 53, 10, 2755, https://doi.org/10.1246/bcsj.53.2755 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Alai and Rye, 1984
Alai, M.; Rye, R.T.B., Fragmentation of selected C6H10O isomers: Evidence for a common [C5H7O]+ ion generated by methyl loss from cyclohexene oxide and 5,6-dihydro-4-methyl-2H-pyran, Org. Mass Spectrom., 1984, 19, 506. [all data]


Notes

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