Hexadecanoic acid, ethyl ester

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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
Δcliquid-11368. ± 1.kJ/molCcbFreedman, Bagby, et al., 1989Corresponding Δfliquid = -860.2 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:
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
Tfus297.7KN/ACheshko and Shvaika, 1971Uncertainty assigned by TRC = 2. K; TRC
Tfus297.15KN/APaquot, Sorba, et al., 1955Uncertainty assigned by TRC = 4. K; TRC
Tfus298.2KN/AWibaut, Overhoff, et al., 1943Uncertainty assigned by TRC = 2. K; melting point in capillary tube; TRC
Tfus295.2KN/AWibaut, Overhoff, et al., 1943Uncertainty assigned by TRC = 2. K; solidfication point; TRC
Tfus295.2KN/ABaker and Smyth, 1938Crystal phase 1 phase; Uncertainty assigned by TRC = 1.5 K; TRC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
465.70.013Aldrich Chemical Company Inc., 1990BS
464.20.013Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
73.9444.AStephenson and Malanowski, 1987Based on data from 429. to 466. K.; AC
100.7308.MEStephenson and Malanowski, 1987Based on data from 298. to 318. K. See also Omar, 1967.; AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
150.8290.MEStephenson and Malanowski, 1987Based on data from 286. to 294. K. See also Omar, 1967.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
15.093296.35King and Garner, 1934DH
15.09296.4Domalski and Hearing, 1996AC
53.14296.Omar, 1967AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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, IR Spectrum, Mass spectrum (electron ionization), References