2H-Inden-2-one, octahydro-3a-methyl-, cis-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-10-5-3-2-4-8(10)6-9(11)7-10/h8H,2-7H2,1H3/t8-,10+/m0/s1
- IUPAC Standard InChIKey: AMBOSHXMUMOHBF-WCBMZHEXSA-N
- CAS Registry Number: 13351-29-6
- 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-Indanone, hexahydro-3a-methyl-, cis-; 3a-Methyloctahydro-2H-inden-2-one, (Z)-
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -287.0 ± 3.4 | kJ/mol | Ccr | Sellers, 1970 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -347.9 ± 3.4 | kJ/mol | Ccr | Sellers, 1970 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -5873.8 ± 3.4 | kJ/mol | Ccr | Sellers, 1970 | Corresponding ΔfHºsolid = -347.91 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 60.9 ± 0.2 | kJ/mol | C | Sellers, Gram, et al., 1970 | See also Pedley and Rylance, 1977.; AC |
| ΔsubH° | 60.92 ± 0.17 | kJ/mol | C | Sellers, 1970 | ALS |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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: 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 | 46742 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.
Sellers, 1970
Sellers, P.,
Enthalpies of formation of cis- and trans-8-Methyl-2-hydrindanome,
Acta Chem. Scand., 1970, 24, 2453-2358. [all data]
Sellers, Gram, et al., 1970
Sellers, Peter; Gram, F.; Groth, P.; Klewe, B.; Rømming, Chr.,
Enthalpies of Formation of cis- and trans-8-Methyl-2-hydrindanone.,
Acta Chem. Scand., 1970, 24, 2453-2458, https://doi.org/10.3891/acta.chem.scand.24-2453
. [all data]
Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J.,
, Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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