Dodecanoic acid, methyl 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-1940.0 ± 0.1kcal/molCcbFreedman, Bagby, et al., 1989Corresponding Δfliquid = -170.8 kcal/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-1945.0 ± 0.38kcal/molCcbAdriaanse, Dekker, et al., 1965Corresponding Δfliquid = -165.8 kcal/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
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
Δvap18.4 ± 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

ΔvapH (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. to 452. K.; AC
12.7498.GCHusain, Sarma, et al., 1993Based on data from 453. to 543. K.; AC
20.0302.AStephenson and Malanowski, 1987Based on data from 287. to 333. K.; AC
15.2422.AStephenson and Malanowski, 1987Based on data from 407. to 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. to 409. K.; AC
14.9388.N/AAlthouse and Triebold, 1944Based on data from 373. to 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. to 439.4.811362303.546-61.592Althouse and Triebold, 1944Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
29.11 ± 0.50267.MEDavies and Kybett, 1965Based on data from 262. to 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:


References

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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

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