Bicyclo[3.3.1]nonan-9-one
- Formula: C9H14O
- Molecular weight: 138.2069
- IUPAC Standard InChI: InChI=1S/C9H14O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2
- IUPAC Standard InChIKey: SKTMMSQPXGWCAP-UHFFFAOYSA-N
- CAS Registry Number: 17931-55-4
- 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: Bicyclo[3.3.1]nona-9-one
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Gas 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 |
|---|---|---|---|---|---|
| ΔfH°gas | -57.3 ± 2.0 | kcal/mol | Ccb | Steele, 1979 |
Phase change 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: Eugene S. Domalski and Elizabeth D. Hearing
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 3.3724 | 300.5 | crystaline, II | crystaline, I | White and Perrott, 1991 |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 11.23 | 300.5 | crystaline, II | crystaline, I | White and Perrott, 1991 |
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.
Steele, 1979
Steele, W.V.,
Thermochemically determined ΔH°f(g) values for ketones and alcohols,
Private Communication, University of Stirling, Stirling, Scotland, 1979, 0. [all data]
White and Perrott, 1991
White, M.A.; Perrott, A.,
Polymorphism in Bicyclo[3.3.1]nonan-9-one: A molecular solid that can exist in both its ordered and its disordered phases at room temperature,
J. Solid State Chem., 1991, 90(1), 87-91. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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