2(1H)-Naphthalenone, octahydro-, trans-
- 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-/m1/s1
- IUPAC Standard InChIKey: LGVJRKCQQHOWAU-RKDXNWHRSA-N
- CAS Registry Number: 16021-08-2
- 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: trans-2-Decalone; Octahydro-2(1H)-naphthalenone, (E)-; trans-octahydronaphthalene-2(1H)-one
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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 | -1400.1 | kcal/mol | Ccb | Huckel and Mentzel, 1926 | Corresponding ΔfHºliquid = -86.9 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -1401.21 ± 0.15 | kcal/mol | Ccb | Roth and Lasse, 1925 | Corresponding ΔfHºliquid = -85.82 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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
=
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 |
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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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 | CARL DJERASSI DEPT OF CHEM STANFORD UNIV STANFORD CALIF 94305 |
| NIST MS number | 49338 |
References
Go To: Top, Condensed phase thermochemistry 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.
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, Mass spectrum (electron ionization), 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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