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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil392. ± 1.KAVGN/AAverage of 40 out of 43 values; Individual data points
Quantity Value Units Method Reference Comment
Tc560.3 ± 0.3KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc36.3 ± 0.2atmN/AGude and Teja, 1995 
Pc35.92atmN/AQuadri, Khilar, et al., 1991Uncertainty assigned by TRC = 0.39 atm; TRC
Pc36.61atmN/ARosenthal and Teja, 1990Uncertainty assigned by TRC = 0.20 atm; TRC
Pc36.61atmN/ARosenthal and Teja, 1989Uncertainty assigned by TRC = 0.20 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.329l/molN/AGude and Teja, 1995 
Quantity Value Units Method Reference Comment
ρc3.04 ± 0.02mol/lN/AGude and Teja, 1995 
ρc3.04mol/lN/ASmith, Anselme, et al., 1986Uncertainty assigned by TRC = 0.23 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap12.8kcal/molCGCChickos, Hosseini, et al., 1995Based on data from 323. to 373. K.; AC
Δvap13.0 ± 0.05kcal/molCMajer, Svoboda, et al., 1985AC
Δvap12.6 ± 0.31kcal/molVConnett, 1970ALS
Δvap12.56 ± 0.30kcal/molVChao and Rossini, 1965Heat of formation derived by Cox and Pilcher, 1970; ALS
Δvap12.7kcal/molCMcCurdy and Laidler, 1963AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
12.2339.EBGierycz, Kosowski, et al., 2009Based on data from 324. to 391. K.; AC
14.1289.AStephenson and Malanowski, 1987Based on data from 274. to 393. K.; AC
12.6 ± 0.05313.CMajer, Svoboda, et al., 1985AC
12.2 ± 0.05328.CMajer, Svoboda, et al., 1985AC
11.7 ± 0.05343.CMajer, Svoboda, et al., 1985AC
11.2 ± 0.02358.CMajer, Svoboda, et al., 1985AC
10.9 ± 0.02368.CMajer, Svoboda, et al., 1985AC
12.0337.N/ASachek, Markovnik, et al., 1984Based on data from 322. to 393. K.; AC
12.9313.N/AWilhoit and Zwolinski, 1973Based on data from 298. to 393. K.; AC
12.8313.N/AButler, Ramchandani, et al., 1935Based on data from 298. to 383. K. See also Boublik, Fried, et al., 1984.; 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
298.12 to 383.344.417781291.212-100.017Butler, Ramchandani, et al., 1935, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.03200.Lohmann, Joh, et al., 1997AC

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.

Gude and Teja, 1995
Gude, M.; Teja, A.S., Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols, J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]

Quadri, Khilar, et al., 1991
Quadri, S.K.; Khilar, K.C.; Kudchadker, A.P.; Patni, M.J., Measurement of the critical temperatures and critical pressures of some thermally stable or mildly unstable alkanols, J. Chem. Thermodyn., 1991, 23, 67-76. [all data]

Rosenthal and Teja, 1990
Rosenthal, D.J.; Teja, A.S., The Critical Pressures and temperatures of Isomeric Alkanols, Ind. Eng. Chem. to be published 1990 1990, 1990. [all data]

Rosenthal and Teja, 1989
Rosenthal, D.J.; Teja, A.S., Critical pressures and temperatures of isomeric alkanols, Ind. Eng. Chem. Res., 1989, 28, 1693. [all data]

Smith, Anselme, et al., 1986
Smith, R.L.; Anselme, M.J.; Teja, A.S., The Critical Temperatures of Isomeric Pentanols and Heptanols, Fluid Phase Equilib., 1986, 31, 161. [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]

Majer, Svoboda, et al., 1985
Majer, V.; Svoboda, V.; Lencka, M., Enthalpies of vaporization and cohesive energies of dimethylpyridines and trimethylpyridines, The Journal of Chemical Thermodynamics, 1985, 17, 4, 365-370, https://doi.org/10.1016/0021-9614(85)90133-8 . [all data]

Connett, 1970
Connett, J.E., Chemical equilibria. Part III. Dehydrogenation of pentan-1-ol, pentan-2-ol, and 3-methylbutan-2-ol, J. Chem. Soc. A, 1970, 1284-1286. [all data]

Chao and Rossini, 1965
Chao, J.; Rossini, F.D., Heats of combustion, formation, and isomerization of nineteen alkanols, J. Chem. Eng. Data, 1965, 10, 374-379. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

McCurdy and Laidler, 1963
McCurdy, K.G.; Laidler, K.J., HEATS OF VAPORIZATION OF A SERIES OF ALIPHATIC ALCOHOLS, Can. J. Chem., 1963, 41, 8, 1867-1871, https://doi.org/10.1139/v63-274 . [all data]

Gierycz, Kosowski, et al., 2009
Gierycz, Pawel; Kosowski, Andrzej; Swietlik, Ryszard, Vapor-Liquid Equilibria in Binary Systems Formed by Cyclohexane with Alcohols, J. Chem. Eng. Data, 2009, 54, 11, 2996-3001, https://doi.org/10.1021/je900050z . [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]

Sachek, Markovnik, et al., 1984
Sachek, A.I.; Markovnik, V.S.; Peshchenko, A.D.; Shvaro, A.V.; Andreevskii, D.N., Khim. Prom-st. (Moscow), 1984, 337. [all data]

Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]

Butler, Ramchandani, et al., 1935
Butler, J.A.V.; Ramchandani, C.N.; Thomson, D.W., 58. The solubility of non-electrolytes. Part I. The free energy of hydration of some aliphatic alcohols, J. Chem. Soc., 1935, 280, https://doi.org/10.1039/jr9350000280 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Butler, Ramchandani, et al., 1935, 2
Butler, J.A.V.; Ramchandani, C.N.; Thomson, D.W., The Solubility of Non-Electrolytes. Part 1. The Free Energy of Hydration of Some Alphatic Alcohols, J. Chem. Soc., 1935, 280-285, https://doi.org/10.1039/jr9350000280 . [all data]

Lohmann, Joh, et al., 1997
Lohmann, J.; Joh, R.; Gmehling, J., Solid-Liquid Equilibria of Viscous Binary Mixtures with Alcohols, J. Chem. Eng. Data, 1997, 42, 6, 1170-1175, https://doi.org/10.1021/je9700683 . [all data]


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