3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
- Formula: C13H20O
- Molecular weight: 192.2973
- IUPAC Standard InChI: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
- IUPAC Standard InChIKey: PSQYTAPXSHCGMF-BQYQJAHWSA-N
- CAS Registry Number: 14901-07-6
- 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. - Species with the same structure:
- Other names: 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one; β-Ionone; β-Cyclocitrylideneacetone; Ionone, β-; 4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; 4-(2,6,6-trimethyl-1-cyclohexene-1-yl)-3-buten-2-one; 4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one; NSC 402758; 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (β-ionone); β-Ionene; 3-Buten-2-one,4-[2,6,6-trimethyl-cyclohexen-1-yl]-; 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -51.00 ± 0.67 | kcal/mol | Ccb | Gerasimov, Gubareva, et al., 1985 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1854.8 ± 0.67 | kcal/mol | Ccb | Gerasimov, Gubareva, et al., 1985 | Corresponding ΔfHºliquid = -51.00 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: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 16.5 | 306. | A,ME | Stephenson and Malanowski, 1987 | Based on data from 291. to 334. K. See also Serpinskii, Voitkevich, et al., 1957. |
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.
Gerasimov, Gubareva, et al., 1985
Gerasimov, P.A.; Gubareva, A.I.; Beregovykh, V.V.; Blokh, E.L.,
The Physicochemical properties of a ψ- and β-ionones,
Russ. J. Phys. Chem. (Engl. Transl.), 1985, 59, 1712-1713. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Serpinskii, Voitkevich, et al., 1957
Serpinskii, V.V.; Voitkevich, S.A.; Lyuboshits, N.Yu.,
Zh. Fiz. Khim., 1957, 31, 1278. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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