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Dodecanoic acid, methyl ester

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Condensed phase thermochemistry data

Go To: Top, Phase change data, IR Spectrum, 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
Deltacliquid-1940.0 ± 0.1kcal/molCcbFreedman, Bagby, et al., 1989Corresponding «DELTA»fliquid = -170.8 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-1945.0 ± 0.38kcal/molCcbAdriaanse, Dekker, et al., 1965Corresponding «DELTA»fliquid = -165.8 kcal/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tfus278.45KN/AGaikwad and Subrahmanyam, 1985Uncertainty assigned by TRC = 0.35 K; TRC
Tfus278.KN/AAdriaanse, Dekker, et al., 1964Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Tc712.15KN/AAmbrose, 1963Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Deltavap18.4 ± 0.1kcal/molAVGN/AAverage of 6 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
535.21.01Weast and Grasselli, 1989BS
414.20.020Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
17.1350.N/Avan Genderen, van Miltenburg, et al., 2002AC
16.9 ± 0.05356.N/Avan Genderen, van Miltenburg, et al., 2002AC
17.9310.N/ABureau, Jose, et al., 2001Based on data from 295. - 452. K.; AC
12.7498.GCHusain, Sarma, et al., 1993Based on data from 453. - 543. K.; AC
20.0302.AStephenson and Malanowski, 1987Based on data from 287. - 333. K.; AC
15.2422.AStephenson and Malanowski, 1987Based on data from 407. - 540. K. See also Rose and Schrodt, 1963.; AC
19.3293.VSpizzichino, 1956ALS
16.57293.VScott, Macmillan, et al., 1952ALS
17.1351.MG,OMScott, Macmillan, et al., 1952Based on data from 336. - 409. K.; AC
14.9388.N/AAlthouse and Triebold, 1944Based on data from 373. - 439. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
373. - 439.4.811362303.546-61.592Althouse and Triebold, 1944Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
29.11 ± 0.50267.MEDavies and Kybett, 1965Based on data from 262. - 273. K. See also Stephenson and Malanowski, 1987.; AC

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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Mass 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-1738
NIST MS number 229476

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]

Adriaanse, Dekker, et al., 1965
Adriaanse, N.; Dekker, H.; Coops, J., Heats of combustion of normal saturated fatty acids and their methyl esters, Rec. Trav. Chim. Pays/Bas, 1965, 84, 393-407. [all data]

Gaikwad and Subrahmanyam, 1985
Gaikwad, B.R.; Subrahmanyam, V.V., Melting behavior of fatty alcohols and their binary blends., J. Indian Chem. Soc., 1985, 62, 513. [all data]

Adriaanse, Dekker, et al., 1964
Adriaanse, N.; Dekker, H.; Coops, J., Some Physical Constants of Normal, Saturated Fatty Acids and Their Methyl Esters, Recl. Trav. Chim. Pays-Bas, 1964, 83, 557. [all data]

Ambrose, 1963
Ambrose, D., Critical Temperatures of Some Phenols and Other Organic Compounds, Trans. Faraday Soc., 1963, 59, 1988. [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]

van Genderen, van Miltenburg, et al., 2002
van Genderen, Aad C.G.; van Miltenburg, J. Cees; Blok, Jacobus G.; van Bommel, Mark J.; van Ekeren, Paul J.; van den Berg, Gerrit J.K.; Oonk, Harry A.J., Liquid--vapour equilibria of the methyl esters of alkanoic acids: vapour pressures as a function of temperature and standard thermodynamic function changes, Fluid Phase Equilibria, 2002, 202, 1, 109-120, https://doi.org/10.1016/S0378-3812(02)00097-3 . [all data]

Bureau, Jose, et al., 2001
Bureau, N.; Jose, J.; Mokbel, I.; de Hemptinne, J-C, Vapour pressure measurements and prediction for heavy esters, The Journal of Chemical Thermodynamics, 2001, 33, 11, 1485-1498, https://doi.org/10.1006/jcht.2001.0859 . [all data]

Husain, Sarma, et al., 1993
Husain, Sajid; Sarma, P. Nageswara; Swamy, G.Y.S.K.; Devi, K. Sita, Determination of physicochemical properties of some fatty acid methyl esters by gas liquid chromatography, J Am Oil Chem Soc, 1993, 70, 2, 149-155, https://doi.org/10.1007/BF02542618 . [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]

Rose and Schrodt, 1963
Rose, Arthur; Schrodt, Verle N., Correlation and Prediction of Vapor Pressures of Homologs. Use of Structure Parameters and Gas Chromatography Data., J. Chem. Eng. Data, 1963, 8, 1, 9-13, https://doi.org/10.1021/je60016a002 . [all data]

Spizzichino, 1956
Spizzichino, C., Contribution a l'etude des tensions de vapeur et des chaleurs de vaporisation des acides gras, esters methyliques et alcools gras a des pressions inferieures a 1 mm de mercure, J. des Recherches du C.N.R.S., 1956, 34, 1-24. [all data]

Scott, Macmillan, et al., 1952
Scott, T.A., Jr.; Macmillan, D.; Melvin, E.H., Vapor pressures and distillation of methyl esters of some fatty acids, Ind. Eng. Chem., 1952, 44, 172-175. [all data]

Althouse and Triebold, 1944
Althouse, Paul M.; Triebold, Howard O., Physical Constants of Methyl Esters of Commonly Occurring Fatty Acids Vapor Pressure, Ind. Eng. Chem. Anal. Ed., 1944, 16, 10, 605-606, https://doi.org/10.1021/i560134a003 . [all data]

Davies and Kybett, 1965
Davies, M.; Kybett, B., Sublimation and vaporization heats of long-chain alcohols, Trans. Faraday Soc., 1965, 61, 1608. [all data]


Notes

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