Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3
- IUPAC Standard InChIKey: USMNOWBWPHYOEA-UHFFFAOYSA-N
- CAS Registry Number: 1125-12-8
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 3-Thujanone; Chrysanthone; Tanacetone; 1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one; (-)-Thujone; Thujan-3-one; NSC 407281; Thujone
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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 | -1431.9 | kcal/mol | Ccb | Roth and Ostling, 1913 | Corresponding ΔfHºliquid = -55.1 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 358.2 | K | N/A | Aldrich Chemical Company Inc., 1990 |
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.
Roth and Ostling, 1913
Roth, W.A.; Ostling, G.J.,
Thermochemische Untersuchungen in der alicyclischen Reihe,
Ber., 1913, 46, 309-327. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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