2-Hexenal, 2-ethyl-
- Formula: C8H14O
- Molecular weight: 126.1962
- IUPAC Standard InChI: InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6-
- IUPAC Standard InChIKey: PYLMCYQHBRSDND-VURMDHGXSA-N
- CAS Registry Number: 645-62-5
- 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: α-Ethyl-β-propylacrolein; 2-Ethyl-2-hexen-1-al; 2-Ethyl-2-hexenal; 2-Ethyl-3-propylacrolein; α-Ethyl-β-n-propylacrolein; Acrolein, 2-ethyl-3-propyl-; 2-Ethylhexenal; α-Ethyl-2-hexenal; NSC 4787; 2-ethylhex-2-enal
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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 | -261.3 ± 0.71 | kJ/mol | Ccb | Tjebbes, 1960 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4887.62 ± 0.71 | kJ/mol | Ccb | Tjebbes, 1960 | Corresponding ΔfHºliquid = -261.2 kJ/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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 450.2 | K | N/A | Dykvy, Seprakova, et al., 1961 | Uncertainty assigned by TRC = 0.3 K; TRC |
| Tboil | 444.65 | K | N/A | Komarewsky and Kritchevsky, 1943 | Uncertainty assigned by TRC = 3. K; TRC |
| Tboil | 445.15 | K | N/A | Von Braun and Manz, 1934 | Uncertainty assigned by TRC = 2. K; TRC |
| Tboil | 441.65 | K | N/A | Grignard and Fluchaire, 1928 | Uncertainty assigned by TRC = 2. K; TRC |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 344. to 347. | 0.040 | Frinton Laboratories Inc., 1986 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 48.4 | 341. | A | Stephenson and Malanowski, 1987 | Based on data from 326. to 448. K. See also Dykvy, Seprakova, et al., 1961.; AC |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tjebbes, 1960
Tjebbes, J.,
Heats of combustion of butannal and some related compounds,
Acta Chem. Scand., 1960, 14, 180-188. [all data]
Dykvy, Seprakova, et al., 1961
Dykvy, J.; Seprakova, M.; Paulech, J.,
Chem. Zvesti, 1961, 15, 465. [all data]
Komarewsky and Kritchevsky, 1943
Komarewsky, V.I.; Kritchevsky, T.H.,
Synthesis of Olefin Hydrocarbons by Catalytic Condensation and Dehydration of Aliphatic Aldehydes,
J. Am. Chem. Soc., 1943, 65, 547-8. [all data]
Von Braun and Manz, 1934
Von Braun, J.; Manz, G.,
The Decomposition of Aldehydes with Metals and Its Catalysis,
Chem. Ber., 1934, 67, 1696. [all data]
Grignard and Fluchaire, 1928
Grignard, V.; Fluchaire, M.,
Suiz les proprietetes condensantes des alcoolates magnesiens mixtures,
Ann. Chim. (Paris), 1928, 9, 5. [all data]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, References
- Symbols used in this document:
Tboil Boiling point 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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