3,5,9-Undecatrien-2-one, 6,10-dimethyl-
- Formula: C13H20O
- Molecular weight: 192.2973
- IUPAC Standard InChI: InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3
- IUPAC Standard InChIKey: JXJIQCXXJGRKRJ-UHFFFAOYSA-N
- CAS Registry Number: 141-10-6
- 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: ψ-Ionone; Citrylideneacetone; Pseudoionone; 6,10-Dimethyl-3,5,9-undecatrien-2-one; 2,6-Dimethylundeca-2,6,8-triene-10-one; 2,6-Dimethyl hendeca-2,6,8-trien-10-one; 6,10-dimethylundeca-3,5,9-trien-2-one
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Condensed phase thermochemistry data
Go To: Top, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -213.4 ± 2.8 | kJ/mol | Ccb | Gerasimov, Gubareva, et al., 1985 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -7760.5 ± 2.8 | kJ/mol | Ccb | Gerasimov, Gubareva, et al., 1985 | Corresponding ΔfHºliquid = -213.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -7755.9 | kJ/mol | Ccb | Roth-Greifswald, 1911 | Heat of combustion corrected for pressure; Corresponding ΔfHºliquid = -218. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 382.7 | 297.85 | Baglay, Gurariy, et al., 1988 | T = 270 to 340 K. Unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry 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: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 67.6 ± 1.1 | 420. | Baglay, Gurariy, et al., 1988 | Based on data from 382. to 457. K. |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
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]
Roth-Greifswald, 1911
Roth-Greifswald, W.A.,
XVIII. Hauptversammlung der Deutschen Bunsen-Gesellschaft fur angewandte physikalische Chemie,
Z. Electrochem., 1911, 17, 789-840. [all data]
Baglay, Gurariy, et al., 1988
Baglay, A.K.; Gurariy, L.L.; Kuleshov, G.G.,
Physical properties of compounds used in vitamin synthesis,
J. Chem. Eng. Data, 1988, 33, 512-518. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid 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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