cis-octahydronaphthalene-2(1H)-one
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2/t8-,9+/m0/s1
- IUPAC Standard InChIKey: LGVJRKCQQHOWAU-DTWKUNHWSA-N
- CAS Registry Number: 1579-21-1
- 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: 2(1H)-Naphthalenone, octahydro-, cis-
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°liquid | -1402.3 | kcal/mol | Ccb | Huckel and Mentzel, 1926 | Corresponding ΔfHºliquid = -84.7 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -1401.2 ± 1.1 | kcal/mol | Ccb | Roth and Lasse, 1925 | Corresponding ΔfHºliquid = -85.82 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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: C10H16O = C10H16O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.51 ± 0.31 | kcal/mol | Eqk | Allinger and Siefert, 1972 | liquid phase; At 488 K |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Huckel and Mentzel, 1926
Huckel, W.; Mentzel, R.,
Zur Stereochemie bicyclischer Ringsteme II. Die Stereoisomerie des Dekahydronaphtalins und seiner Derivate II. Stereoisomere β-substituierte Dekaline,
Ann., 1926, 451, 109-132. [all data]
Roth and Lasse, 1925
Roth, W.A.; Lasse, R.,
Verbrennungswarme der Dekahydro-naphthaline und der Dekalone,
Ann., 1925, 441, 48-53. [all data]
Allinger and Siefert, 1972
Allinger, N.L.; Siefert, J.H.,
Conformational analysis. LXXXVI. The equilibrium between the cis and trans isomers of 2-decalone,
J. Am. Chem. Soc., 1972, 94, 8082-8084. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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