Octadecanoic acid, ethyl ester
- Formula: C20H40O2
- Molecular weight: 312.5304
- IUPAC Standard InChI: InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
- IUPAC Standard InChIKey: MVLVMROFTAUDAG-UHFFFAOYSA-N
- CAS Registry Number: 111-61-5
- 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: Stearic acid, ethyl ester; Ethyl n-octadecanoate; Ethyl octadecanoate; Ethyl stearate; Radia 7185; Ethyl ocatadecanoate; Ethyl octadecanoate (Ethyl stearate)
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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:
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 | 307.2 | K | N/A | Cheshko and Shvaika, 1971 | Uncertainty assigned by TRC = 2. K; TRC |
| Tfus | 306.9 | K | N/A | Boelhouwer, Nederbragt, et al., 1950 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Tfus | 304.05 | K | N/A | Deffet, 1940 | Metastable crystal phase; Uncertainty assigned by TRC = 0.4 K; TRC |
| Tfus | 306.55 | K | N/A | Deffet, 1940 | Uncertainty assigned by TRC = 0.3 K; TRC |
| Tfus | 304.3 | K | N/A | Baker and Smyth, 1938 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1.5 K; TRC |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 487.2 | 0.020 | Aldrich Chemical Company Inc., 1990 | BS |
| 472.2 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 26.74 | 461. | A | Stephenson and Malanowski, 1987 | Based on data from 454. to 469. K.; AC |
| 25.53 | 319. | A,ME | Stephenson and Malanowski, 1987 | Based on data from 310. to 328. K. See also Omar, 1967.; AC |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 38.58 | 301.5 | ME | Stephenson and Malanowski, 1987 | Based on data from 297. to 306. K. See also Omar, 1967.; AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 14.30 | 307. | Omar, 1967 | AC |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 1.523 | 300.15 | crystaline, II, á | crystaline, I, à transition | King and Garner, 1934 | DH |
| 2.9491 | 304.2 | crystaline, I, à | liquid, liq transition | King and Garner, 1934 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cheshko and Shvaika, 1971
Cheshko, F.F.; Shvaika, T.N.,
Syntheses and Identification of Esters of Certain Mono- and Di-carboxylic Acids,
Zh. Prikl. Khim., 1971, 44, 1107-16. [all data]
Boelhouwer, Nederbragt, et al., 1950
Boelhouwer, J.W.M.; Nederbragt, G.W.; Verberg, G.W.,
Viscosity data of organic liquids,
Appl. Sci. Res., Sect. A, 1950, 2, 249. [all data]
Deffet, 1940
Deffet, L.,
Piezometric Research. Temperatures of Fusion and Transformation,
Bull. Soc. Chim. Belg., 1940, 49, 223. [all data]
Baker and Smyth, 1938
Baker, W.O.; Smyth, C.P.,
The Possibility of Molecular Rotation in the Solid Form of Cetyl Alcohol and Three Long-Chain Ethyl Esters,
J. Am. Chem. Soc., 1938, 60, 1229. [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]
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, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition 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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