Octadecanoic 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
Δcsolid-12602.2 ± 1.8kJ/molCcbFreedman, Bagby, et al., 1989Corresponding Δfsolid = -984.58 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
Tfus307.2KN/ACheshko and Shvaika, 1971Uncertainty assigned by TRC = 2. K; TRC
Tfus306.9KN/ABoelhouwer, Nederbragt, et al., 1950Uncertainty assigned by TRC = 0.5 K; TRC
Tfus304.05KN/ADeffet, 1940Metastable crystal phase; Uncertainty assigned by TRC = 0.4 K; TRC
Tfus306.55KN/ADeffet, 1940Uncertainty assigned by TRC = 0.3 K; TRC
Tfus304.3KN/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
487.20.020Aldrich Chemical Company Inc., 1990BS
472.20.013Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
111.9461.AStephenson and Malanowski, 1987Based on data from 454. to 469. K.; AC
106.8319.A,MEStephenson and Malanowski, 1987Based on data from 310. to 328. K. See also Omar, 1967.; AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
161.4301.5MEStephenson and Malanowski, 1987Based on data from 297. to 306. K. See also Omar, 1967.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
59.83307.Omar, 1967AC

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
6.373300.15crystaline, II, ácrystaline, I, à transitionKing and Garner, 1934DH
12.339304.2crystaline, I, àliquid, liq transitionKing and Garner, 1934DH

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

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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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

Spectrum

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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

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 J. SKOREPA CHARLES UNIVERSITY, PRAGUE, CZECHOSLOVAKIA
NIST MS number 23294

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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]

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