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7-Oxabicyclo[4.1.0]heptane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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
Deltafgas-125.5 ± 1.1kJ/molCcbKozina, Timofeeva, et al., 1988See Timofeeva, Lukyanova, et al., 1984
Deltafgas-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
Deltafliquid-166.0 ± 1.1kJ/molCcbKozina, Timofeeva, et al., 1988See Timofeeva, Lukyanova, et al., 1984; ALS
Deltafliquid-165.3 ± 1.0kJ/molCcbAndruzzi, Li, et al., 1987ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3624.2 ± 1.0kJ/molCcbKozina, Timofeeva, et al., 1988See Timofeeva, Lukyanova, et al., 1984; Corresponding «DELTA»fliquid = -166.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3624.9 ± 0.6kJ/molCcbAndruzzi, Li, et al., 1987Corresponding «DELTA»fliquid = -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. - 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
Deltavap40.5 ± 0.2kJ/molCKozina, Timofeeva, et al., 1988See Timofeeva, Lukyanova, et al., 1984; ALS
Deltavap40.5kJ/molN/AKozina, Timofeeva, et al., 1988DRB
Deltavap43.2 ± 2.0kJ/molEAndruzzi, Li, et al., 1987ALS
Deltavap43.1kJ/molN/AAndruzzi, Li, et al., 1987DRB

Enthalpy of fusion

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

Entropy of fusion

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

Enthalpy of phase transition

DeltaHtrs (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

DeltaStrs (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

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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

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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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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 Japan AIST/NIMC Database- Spectrum MS-NW- 833
NIST MS number 228303

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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.

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References