1,3,5-Cyclooctatriene

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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

Quantity Value Units Method Reference Comment
Tboil418.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus189.9KN/ACope and Hochstein, 1950Uncertainty assigned by TRC = 3. K; TRC
Tfus183.2KN/ACope and Hochstein, 1950Uncertainty assigned by TRC = 4. K; TRC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
349.20.12Weast and Grasselli, 1989BS

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Reaction 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

3Hydrogen + 1,3,5-Cyclooctatriene = Cyclooctane

By formula: 3H2 + C8H10 = C8H16

Quantity Value Units Method Reference Comment
Δr-76.39 ± 0.44kcal/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Acetic acid
Δr-72.36 ± 0.26kcal/molChydTurner, Meador, et al., 1957liquid phase; solvent: Acetic acid

Bicyclo[4.2.0]octa-2,4-diene = 1,3,5-Cyclooctatriene

By formula: C8H10 = C8H10

Quantity Value Units Method Reference Comment
Δr-0.14 ± 0.02kcal/molEqkGreathead and Orchard, 1983gas phase

1,3,6-Cyclooctatriene = 1,3,5-Cyclooctatriene

By formula: C8H10 = C8H10

Quantity Value Units Method Reference Comment
Δr-3.25 ± 0.05kcal/molEqkGreathead and Orchard, 1983gas phase

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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Mass 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 D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 61937

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References

Go To: Top, Phase change data, Reaction thermochemistry 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.

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]

Cope and Hochstein, 1950
Cope, A.C.; Hochstein, F.A., Cyclic Polyolefins VI. Preparation of Cyclooctatrienes from \ Cyclooctatetraene, J. Am. Chem. Soc., 1950, 72, 2515-20. [all data]

Turner, Mallon, et al., 1973
Turner, R.B.; Mallon, B.J.; Tichy, M.; Doering, W.v.E.; Roth, W.R.; Schroder, G., Heats of hydrogenation. X. Conjugative interaction in cyclic dienes and trienes, J. Am. Chem. Soc., 1973, 95, 8605-8610. [all data]

Turner, Meador, et al., 1957
Turner, R.B.; Meador, W.R.; Doering, W.E.; Knox, L.H.; Mayer, J.R.; Wiley, D.W., Heats of hydrogenation. III. Hydrogenation of cycllooctatetraene and of some seven-membered non-benzenoid aromatic compounds, J. Am. Chem. Soc., 1957, 79, 4127-4133. [all data]

Greathead and Orchard, 1983
Greathead, J.M.; Orchard, S.W., Kinetic and equilibrium study of gas-phase interconversions of 1,3,6-cyclooctatriene, 1,3,5-cyclooctatriene and bicyclo[4.2.0]octa-2,4-diene, Int. J. Chem. Kinet., 1983, 15, 1069-1080. [all data]


Notes

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