- Formula: C8H12
- Molecular weight: 108.1809
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: VYXHVRARDIDEHS-UHFFFAOYSA-N
- CAS Registry Number: 111-78-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Cycloocta-1,5-diene
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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.
+ 2 =
By formula: C8H12 + 2H2 = C8H16
|rH°||-230. ± 0.4||kJ/mol||Chyd||Roth, Adamczak, et al., 1991||liquid phase|
|rH°||-224.6 ± 0.08||kJ/mol||Chyd||Turner, Mallon, et al., 1973||liquid phase; solvent: Glacial acetic acid|
By formula: C8H12 = C8H12
|rH°||-19.4 ± 0.9||kJ/mol||Eqk||Taskinen and Nummelin, 1985||liquid phase|
By formula: C8H12 = C8H12
|rH°||-2.8 ± 0.8||kJ/mol||Eqk||Taskinen and Nummelin, 1985||liquid phase|
Go To: Top, Reaction thermochemistry data, Notes
Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [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]
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]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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