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Hexadecanoic acid, methyl ester

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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
Tfus304.KN/AChickos, Braton, et al., 1991Uncertainty assigned by TRC = 1. K; TRC
Tfus303.05KN/AGaikwad and Subrahmanyam, 1985Uncertainty assigned by TRC = 0.35 K; TRC
Tfus302.74KN/AWirth, Droege, et al., 1956Uncertainty assigned by TRC = 0.1 K; TRC
Tfus302.KN/AWhitmore, Sutherland, et al., 1942Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Deltavap96.8 ± 0.6kJ/molN/Avan Genderen, van Miltenburg, et al., 2002AC
Deltavap96.4kJ/molGCKrop, Velzen, et al., 1997Based on data from 463. - 523. K.; AC
Deltavap93.2kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 433. - 473. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
436.70.005Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
93.4350.N/Avan Genderen, van Miltenburg, et al., 2002AC
83.3 ± 0.4397.N/Avan Genderen, van Miltenburg, et al., 2002AC
78.2498.GCHusain, Sarma, et al., 1993Based on data from 453. - 543. K.; AC
82.4426.AStephenson and Malanowski, 1987Based on data from 411. - 543. K. See also Rose and Schrodt, 1963.; AC
82.6393.MG,OMScott, Macmillan, et al., 1952Based on data from 378. - 445. K.; AC
71.4437.N/ABonhorst, Althouse, et al., 1948Based on data from 422. - 475. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
421.7 - 475.46.246623709.672-1.062Bonhorst, Althouse, et al., 1948Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
152. ± 2.296.MEDavies and Kybett, 1965Based on data from 291. - 301. K. See also Stephenson and Malanowski, 1987.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
14.971302.2King and Garner, 1936DH
56.0305.2Nikolic, Marinovic-Cincovic, et al., 2003See also Chickos, Zhao, et al., 2004.; AC
68.16307.2Acree, 1993AC

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

Go To: Top, Phase change data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chickos, Braton, et al., 1991
Chickos, J.S.; Braton, C.M.; Hesse, D.G.; Liebman, J.F., Estimating entropies and enthalpies of fusion of organic compounds, J. Org. Chem., 1991, 56, 3, 927, https://doi.org/10.1021/jo00003a007 . [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]

Wirth, Droege, et al., 1956
Wirth, H.E.; Droege, J.W.; Wood, J.H., Low Temperature Heat Capacity of Palmitic Acid and Methyl Palmitate, J. Phys. Chem., 1956, 60, 917. [all data]

Whitmore, Sutherland, et al., 1942
Whitmore, F.C.; Sutherland, L.H.; Cosby, J.N., Higher Hydrocarbons. I. Seven Alkyl Substituted Docosanes., J. Am. Chem. Soc., 1942, 64, 1360. [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]

Krop, Velzen, et al., 1997
Krop, Hildo B.; Velzen, Martin J.M.v.; Parsons, John R.; Govers, Harrie A.J., Determination of environmentally relevant physical-chemical properties of some fatty acid esters, J Amer Oil Chem Soc, 1997, 74, 3, 309-315, https://doi.org/10.1007/s11746-997-0142-9 . [all data]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [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]

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]

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]

Bonhorst, Althouse, et al., 1948
Bonhorst, Carl W.; Althouse, Paul M.; Triebold, Howard O., Esters of Naturally Occurring Fatty Acids - Physical Properties of Methyl, Propyl, and Isopropyl Esters of C 6 to C 18 Saturated Fatty Acids, Ind. Eng. Chem., 1948, 40, 12, 2379-2384, https://doi.org/10.1021/ie50468a031 . [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]

King and Garner, 1936
King, A.M.; Garner, W.E., The heats of crystallization of methyl and ethyl esters of monobasic fatty acids, 1936, J. [all data]

Nikolic, Marinovic-Cincovic, et al., 2003
Nikolic, R.; Marinovic-Cincovic, M.; Gadzuric, S.; Zsigrai, I.J., New materials for solar thermal storage---solid/liquid transitions in fatty acid esters, Solar Energy Materials and Solar Cells, 2003, 79, 3, 285-292, https://doi.org/10.1016/S0927-0248(02)00412-9 . [all data]

Chickos, Zhao, et al., 2004
Chickos, James S.; Zhao, Hui; Nichols, Gary, The vaporization enthalpies and vapor pressures of fatty acid methyl esters C18, C21 to C23, and C25 to C29 by correlation -- gas chromatography, Thermochimica Acta, 2004, 424, 1-2, 111-121, https://doi.org/10.1016/j.tca.2004.05.020 . [all data]

Acree, 1993
Acree, William E., Thermodynamic properties of organic compounds, Thermochimica Acta, 1993, 219, 97-104, https://doi.org/10.1016/0040-6031(93)80486-T . [all data]


Notes

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