Hexadecanoic acid, ethyl ester
- Formula: C18H36O2
- Molecular weight: 284.4772
- 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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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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°liquid | -2717.0 ± 0.3 | kcal/mol | Ccb | Freedman, Bagby, et al., 1989 | Corresponding ΔfHºliquid = -205.6 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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 (atm) | 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 (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
17.7 | 444. | A | Stephenson and Malanowski, 1987 | Based on data from 429. to 466. K.; AC |
24.07 | 308. | ME | Stephenson and Malanowski, 1987 | Based on data from 298. to 318. K. See also Omar, 1967.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
36.04 | 290. | ME | Stephenson and Malanowski, 1987 | Based on data from 286. to 294. K. See also Omar, 1967.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.6073 | 296.35 | King and Garner, 1934 | DH |
3.607 | 296.4 | Domalski and Hearing, 1996 | AC |
12.70 | 296. | Omar, 1967 | AC |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-5396 |
NIST MS number | 233204 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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]
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, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid 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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