Eicosanoic acid, ethyl ester
- Formula: C22H44O2
- Molecular weight: 340.5836
- IUPAC Standard InChI: InChI=1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h3-21H2,1-2H3
- IUPAC Standard InChIKey: YBKSMWBLSBAFBQ-UHFFFAOYSA-N
- CAS Registry Number: 18281-05-5
- 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. - Other names: Ethyl icosanoate; Ethyl arachidate; Ethyl eicosanoate; Arachidic acid, ethyl ester
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°solid | -13895. ± 1. | kJ/mol | Ccb | Freedman, Bagby, et al., 1989 | Corresponding ΔfHºsolid = -1051. kJ/mol (simple calculation by NIST; no Washburn corrections) |
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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 314.52 | K | N/A | Becker and Strating, 1940 | Uncertainty assigned by TRC = 1. K; TRC |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 569.2 | 0.133 | Weast and Grasselli, 1989 | BS |
| 459.7 | 0.003 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 113.7 | 333. | A | Stephenson and Malanowski, 1987 | Based on data from 318. to 460. K.; AC |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 171.5 | 310. | ME | Stephenson and Malanowski, 1987 | Based on data from 307. to 313. K. See also Omar, 1967.; AC |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 68.62 | 315. | Omar, 1967 | AC |
Enthalpy of phase transition
| ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 7.781 | 396.65 | crystaline, II, á | crystaline, I, à transition | King and Garner, 1934 | DH |
| 15.575 | 313.51 | crystaline, I, à | liquid, liq transition | King and Garner, 1934 | DH |
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.
Freedman, Bagby, et al., 1989
Freedman, B.; Bagby, M.O.; Khoury, H.,
Correlation of heats of combustion with empirical formulas for fatty alcohols,
J. Am. Oil Chem. Soc., 1989, 66, 595-596. [all data]
Becker and Strating, 1940
Becker, H.J.; Strating, J.,
Preparation of Several Crystalline Aliphatic Hydrocarbons in the Pure State,
Rec. Trav. Chim., 1940, 59, 933-46. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]
Omar, 1967
Omar, M.M.,
Vapour pressures, heats of sublimation, and heats of vaporisation for straight-chain ethyl esters,
J. Chem. Soc., C, 1967, 2038, https://doi.org/10.1039/j39670002038
. [all data]
King and Garner, 1934
King, A.M.; Garner, W.E.,
The heats of crystallisation of the ethyl esters of the monobasic aliphatic acids, 1934, J. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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