1,3,5,7-Cyclooctatetraene
- Formula: C8H8
- Molecular weight: 104.1491
- IUPAC Standard InChI: InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-
- IUPAC Standard InChIKey: KDUIUFJBNGTBMD-BONZMOEMSA-N
- CAS Registry Number: 629-20-9
- 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. - Other names: [8]Annulene; Cyclooctatetraene; UN 2358
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Condensed phase thermochemistry data
Go To: Top, References, Notes
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 |
|---|---|---|---|---|---|
| ΔfH°liquid | 60.82 ± 0.32 | kcal/mol | Cm | Prosen, Johnson, et al., 1950 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1084.9 ± 0.7 | kcal/mol | Ccb | Springall, White, et al., 1954 | Corresponding ΔfHºliquid = 59.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -1086.50 ± 0.22 | kcal/mol | Cm | Prosen, Johnson, et al., 1950 | Corresponding ΔfHºliquid = 60.83 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 52.651 | cal/mol*K | N/A | Scott, Gross, et al., 1949 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 44.259 | 298.15 | Scott, Gross, et al., 1949 | T = 12 to 340 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Prosen, Johnson, et al., 1950
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heat of combustion and formation of 1,3,5,7-cyclooctatetraene and its heat of isomerization of styrene,
J. Am. Chem. Soc., 1950, 72, 626-629. [all data]
Springall, White, et al., 1954
Springall, H.D.; White, T.R.; Cass, R.C.,
Heats of combustion and molecular structure Part 1.- The resonance energy and structure of cyclo-octateraene,
Trans. Faraday Soc., 1954, 50, 815. [all data]
Scott, Gross, et al., 1949
Scott, D.W.; Gross, M.E.; Oliver, G.D.; Huffman, H.M.,
Cycloöctatetraene: low-temperature heat capacity, heat of fusion, heat of vaporization, vapor pressure and entropy,
J. Am. Chem. Soc., 1949, 71, 1634-1636. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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