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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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil446. ± 2.KAVGN/AAverage of 27 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus251.6KN/ATimmermans, 1922Uncertainty assigned by TRC = 0.4 K; TRC
Tfus251.15KN/ATimmermans and Mattaar, 1921Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple252.79KN/AOetting, 1965Uncertainty assigned by TRC = 0.08 K; TRC
Ttriple252.86KN/AOetting, 1965Uncertainty assigned by TRC = 0.06 K; TRC
Quantity Value Units Method Reference Comment
Tc632.7KN/APulliam, Gude, et al., 1994Uncertainty assigned by TRC = 0.2 K; by the sealed ampule method; TRC
Quantity Value Units Method Reference Comment
rhoc2.01mol/lN/APulliam, Gude, et al., 1994Uncertainty assigned by TRC = 0.02 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap52.6kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 343. - 383. K.; AC
Deltavap52.0 ± 0.3kJ/molGCCSaluja, Peacock, et al., 1979AC
Deltavap51.8kJ/molN/AAmbrose, Ellender, et al., 1975Based on data from 324. - 520. K.; AC
Deltavap39.8 ± 0.2kJ/molVGeiseler and Ratzsch, 1965ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
49.8332.AStephenson and Malanowski, 1987Based on data from 317. - 446. K.; AC
49.1339.AStephenson and Malanowski, 1987Based on data from 324. - 520. K. See also Ambrose, Ellender, et al., 1975.; AC
50.6311.N/AStull, 1947Based on data from 296. - 446. 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
296.8 - 446.14.94482004.031-40.324Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
24.419252.86Oetting, 1965, 2DH
24.42252.9Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
96.57252.86Oetting, 1965, 2DH

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:


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.

Timmermans, 1922
Timmermans, J., Investigation of the Freezing Point of Organic Substances VII, Bull. Soc. Chim. Belg., 1922, 31, 389. [all data]

Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F., Freezing points of orgainic substances VI. New experimental determinations., Bull. Soc. Chim. Belg., 1921, 30, 213. [all data]

Oetting, 1965
Oetting, F.L., Absolute Entropies of the Methyl Alkyl Ketones 1t 298.15 K, J. Chem. Eng. Data, 1965, 10, 122-5. [all data]

Pulliam, Gude, et al., 1994
Pulliam, M.K.; Gude, M.T.; Teja, A.S., The Critical Properties of Twelve Isomeric n-Alkanones with Six to Nine Carbon Atoms, Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Ser. No. 2, p. 184-87. [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]

Saluja, Peacock, et al., 1979
Saluja, P.P.S.; Peacock, L.A.; Fuchs, R., Enthalpies of interaction of aliphatic ketones with polar and nonpolar solvents, J. Am. Chem. Soc., 1979, 101, 1958-1962. [all data]

Ambrose, Ellender, et al., 1975
Ambrose, D.; Ellender, J.H.; Lees, E.B.; Sprake, C.H.S.; Townsend, R., Thermodynamic properties of organic oxygen compounds XXXVIII. Vapour pressures of some aliphatic ketones, The Journal of Chemical Thermodynamics, 1975, 7, 5, 453-472, https://doi.org/10.1016/0021-9614(75)90275-X . [all data]

Geiseler and Ratzsch, 1965
Geiseler, V.G.; Ratzsch, M., Bildungsenthalpien stellungsisomerer n-Alkanderivate. 1. Mitteilung: Bildungsenthalpien des Octanals und der drei isomeren Octanone, Ber. Bunsen-Ges. Phys. Chem., 1965, 69, 485-488. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Oetting, 1965, 2
Oetting, F.L., Absolute entropies of the methyl alkyl ketones at 298.15 K, J. Chem. Eng. Data, 1965, 10, 122-125. [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]


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