1,4-Cyclooctadiene, (Z,Z)-
- Formula: C8H12
- Molecular weight: 108.1809
- IUPAC Standard InChIKey: DNZZPKYSGRTNGK-PQZOIKATSA-N
- CAS Registry Number: 16327-22-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: cis,cis-1,4-Cyclooctadiene; 1,4-Cyclooctadiene, (cis,cis)-; c,c-Cycloocta-1,4-diene; 1,4-Cyclooctadiene
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Reaction thermochemistry data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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
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
By formula: C8H12 = C8H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.92 ± 0.33 | kcal/mol | Eqk | Taskinen and Nummelin, 1985 | liquid phase |
By formula: C8H12 = C8H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.7 ± 0.2 | kcal/mol | Eqk | Taskinen and Nummelin, 1985 | liquid phase |
Mass spectrum (electron ionization)
Go To: Top, Reaction thermochemistry data, Gas Chromatography, 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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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. |
---|---|
NIST MS number | 1405 |
Gas Chromatography
Go To: Top, Reaction thermochemistry data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-1 | 100. | 909.5 | Engewald, Billing, et al., 1987 | Column length: 50. m; Column diameter: 0.3 mm |
Packed | Squalane | 70. | 895. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 42.5 | 882. | Engewald, Epsch, et al., 1974 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Squalane | 80. | 895. | Engewald, Epsch, et al., 1974 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Squalane | 70. | 895. | Schomburg, 1966 |
References
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Taskinen and Nummelin, 1985
Taskinen, E.; Nummelin, K.,
Relative thermodynamic stabilities of the isomeric cyclooctadienes,
Acta Chem. Scand., Ser. B, 1985, 39, 791-792. [all data]
Engewald, Billing, et al., 1987
Engewald, W.; Billing, U.; Welsch, T.; Haufe, G.,
Structure-retention correlations of hydrocarbons in gas-liquid and gas-solid chromatography. Cycloalkenes and cycloalkadienes,
Chromatographia, 1987, 23, 8, 590-594, https://doi.org/10.1007/BF02324870
. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Engewald, Epsch, et al., 1974
Engewald, W.; Epsch, K.; Graefe, J.; Welsch, Th.,
Molekülstruktur und retentionsverhalten. II. Retentionsverhalten cycloaliphatischer kohlenwasser-stoffe bei der gas-adsorptions- und gas-verteilungschromatographie,
J. Chromatogr., 1974, 91, 623-631, https://doi.org/10.1016/S0021-9673(01)97943-9
. [all data]
Schomburg, 1966
Schomburg, G.,
Gaschromatographische Retentionsdaten und struktur chemischer verbindungen. III. Alkylverzweigte und ungesättigte cyclische Kohlenwasserstoffe,
J. Chromatogr., 1966, 23, 18-41, https://doi.org/10.1016/S0021-9673(01)98653-4
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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