Hexadecanoic acid, ethyl ester
- Formula: C18H36O2
- Molecular weight: 284.4772
- IUPAC Standard InChI: InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
- IUPAC Standard InChIKey: XIRNKXNNONJFQO-UHFFFAOYSA-N
- CAS Registry Number: 628-97-7
- 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: Palmitic acid, ethyl ester; Ethyl hexadecanoate; Ethyl palmitate; Ethyl n-hexadecanoate; Ethyl hexadecanoate (Ethyl palmitate)
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Phase change data
Go To: Top, 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 | 297.7 | K | N/A | Cheshko and Shvaika, 1971 | Uncertainty assigned by TRC = 2. K; TRC |
| Tfus | 297.15 | K | N/A | Paquot, Sorba, et al., 1955 | Uncertainty assigned by TRC = 4. K; TRC |
| Tfus | 298.2 | K | N/A | Wibaut, Overhoff, et al., 1943 | Uncertainty assigned by TRC = 2. K; melting point in capillary tube; TRC |
| Tfus | 295.2 | K | N/A | Wibaut, Overhoff, et al., 1943 | Uncertainty assigned by TRC = 2. K; solidfication point; TRC |
| Tfus | 295.2 | 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 (bar) | Reference | Comment |
|---|---|---|---|
| 465.7 | 0.013 | Aldrich Chemical Company Inc., 1990 | BS |
| 464.2 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 73.9 | 444. | A | Stephenson and Malanowski, 1987 | Based on data from 429. to 466. K.; AC |
| 100.7 | 308. | ME | Stephenson and Malanowski, 1987 | Based on data from 298. to 318. K. See also Omar, 1967.; AC |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 150.8 | 290. | ME | Stephenson and Malanowski, 1987 | Based on data from 286. to 294. K. See also Omar, 1967.; AC |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 15.093 | 296.35 | King and Garner, 1934 | DH |
| 15.09 | 296.4 | Domalski and Hearing, 1996 | AC |
| 53.14 | 296. | Omar, 1967 | AC |
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]
Paquot, Sorba, et al., 1955
Paquot, C.; Sorba, Mme.J.; Wieme, N.,
The Phys. Prop. of Aliphatic Esters Containing Eighteen Carbon Atoms,
Ind. Chim. Belge., 1955, 20, Spec. No. 727. [all data]
Wibaut, Overhoff, et al., 1943
Wibaut, J.P.; Overhoff, J.; Jonker, E.W.,
On the Preparation of Some Hydrocarbons of the Mixed Aliphatic-Aromatic and Aliphatic-Alicyclic Type Containing 22 to 30 C-atoms,
Recl. Trav. Chim. Pays-Bas, 1943, 62, 31. [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]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point 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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