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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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil430. ± 2.KAVGN/AAverage of 54 out of 59 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus225. ± 5.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple225.8KN/AKelley, 1929Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc610.5 ± 0.9KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Pc33.7 ± 0.2atmN/AGude and Teja, 1995 
Pc33.75atmN/AQuadri, Khilar, et al., 1991Uncertainty assigned by TRC = 0.49 atm; TRC
Pc33.68atmN/ARosenthal and Teja, 1990Uncertainty assigned by TRC = 0.06 atm; TRC
Pc33.68atmN/ARosenthal and Teja, 1989Uncertainty assigned by TRC = 0.20 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.387l/molN/AGude and Teja, 1995 
Quantity Value Units Method Reference Comment
rhoc2.58 ± 0.02mol/lN/AGude and Teja, 1995 
rhoc2.62mol/lN/ATeja, Lee, et al., 1989TRC
rhoc2.54mol/lN/AAnselme and Teja, 1988Uncertainty assigned by TRC = 0.06 mol/l; TRC
rhoc2.62mol/lN/AEfremov, 1966Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap14.7 ± 0.4kcal/molAVGN/AAverage of 13 out of 14 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
10.6430.5N/AMajer and Svoboda, 1985 
14.3359.EBGierycz, Kosowski, et al., 2009Based on data from 344. - 384. K.; AC
12.3385.EBTan, Li, et al., 2004Based on data from 370. - 416. K.; AC
14.8288.GSKulikov, Verevkin, et al., 2001Based on data from 265. - 328. K.; AC
14.8 ± 0.05301.GSVerevkin, 1998Based on data from 268. - 333. K.; AC
14.6296.N/AN'Guimbi, Kasehgari, et al., 1992Based on data from 253. - 338. K.; AC
13.8313.AStephenson and Malanowski, 1987Based on data from 298. - 343. K.; AC
14.0340.DTAStephenson and Malanowski, 1987Based on data from 325. - 431. K. See also Kemme and Kreps, 1969.; AC
14.0 ± 0.05328.CMajer, Svoboda, et al., 1985AC
13.8 ± 0.05343.CMajer, Svoboda, et al., 1985AC
13.2 ± 0.05358.CMajer, Svoboda, et al., 1985AC
12.9 ± 0.05368.CMajer, Svoboda, et al., 1985AC
11.4395.EBReddy, Rao, et al., 1985Based on data from 380. - 417. K.; AC
13.8323.N/AWilhoit and Zwolinski, 1973Based on data from 308. - 430. K.; AC
13.4349.N/ARose and Supina, 1961Based on data from 334. - 381. K.; AC
13.8348.N/AButler, Ramchandani, et al., 1935Based on data from 333. - 425. K. See also Boublik, Fried, et al., 1984.; AC

Enthalpy of vaporization

ΔvapH = A exp(-αTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) 298. - 368.
A (kcal/mol) 17.22
alpha -1.059
beta 1.0052
Tc (K) 610.
ReferenceMajer and Svoboda, 1985

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
325.4 - 430.54.407001422.031-107.706Kemme and Kreps, 1969 
334.1 - 381.75.637852117.967-51.988Rose and Supina, 1961Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
3.6759225.8Kelley, 1929, 2DH
3.700225.8Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
16.28225.8Kelley, 1929, 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.

Kelley, 1929
Kelley, K.K., The heat capacities of ethyl and hexyl alcohols from 16 to 298 K and the corresponding entropies and free energies, J. Am. Chem. Soc., 1929, 51, 779-87. [all data]

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]

Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J., Correlation of the Critical Properties of Alkanes and Alkanols in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [all data]

Anselme and Teja, 1988
Anselme, M.J.; Teja, A.S., Critical Temperatures and Densities of Isomeric Alkanols with Six to Ten Carbon Atoms, Fluid Phase Equilib., 1988, 40, 127-34. [all data]

Efremov, 1966
Efremov, Yu.V., Density, Surface Tension, Saturated Vapor Pressurs and Critical Parameters of Alcohols, Zh. Fiz. Khim., 1966, 40, 1240. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [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]

Tan, Li, et al., 2004
Tan, Taijun; Li, Haoran; Wang, Congmin; Jiang, Hui; Han, Shijun, Isothermal and isobaric vapor--liquid equilibria for the binary system trimethylbenzoquinone + n-hexanol, Fluid Phase Equilibria, 2004, 224, 2, 279-283, https://doi.org/10.1016/j.fluid.2004.06.056 . [all data]

Kulikov, Verevkin, et al., 2001
Kulikov, Dmitry; Verevkin, Sergey P.; Heintz, Andreas, Enthalpies of vaporization of a series of aliphatic alcohols, Fluid Phase Equilibria, 2001, 192, 1-2, 187-207, https://doi.org/10.1016/S0378-3812(01)00633-1 . [all data]

Verevkin, 1998
Verevkin, Sergey P., Thermochemistry of phenols: experimental standard molar enthalpies of formation of 2-phenylphenol, 4-phenylphenol, 2,6-diphenylphenol, and 2,2´- and 4,4´-dihydroxybiphenyl, The Journal of Chemical Thermodynamics, 1998, 30, 3, 389-396, https://doi.org/10.1006/jcht.1997.0316 . [all data]

N'Guimbi, Kasehgari, et al., 1992
N'Guimbi, J.; Kasehgari, H.; Mokbel, I.; Jose, J., Tensions de vapeur d'alcools primaires dans le domaine 0,3 Pa à 1,5 kPa, Thermochimica Acta, 1992, 196, 2, 367-377, https://doi.org/10.1016/0040-6031(92)80100-B . [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]

Kemme and Kreps, 1969
Kemme, Herbert R.; Kreps, Saul I., Vapor pressure of primary n-alkyl chlorides and alcohols, J. Chem. Eng. Data, 1969, 14, 1, 98-102, https://doi.org/10.1021/je60040a011 . [all data]

Majer, Svoboda, et al., 1985
Majer, V.; Svoboda, V.; Uchytilová, V.; Finke, M., Enthalpies of vaporization of aliphatic C5 and C6 alcohols, Fluid Phase Equilibria, 1985, 20, 111-118, https://doi.org/10.1016/0378-3812(85)90026-3 . [all data]

Reddy, Rao, et al., 1985
Reddy, K. Dayananda; Rao, M.V. Prabhakara; Ramakrishna, M., Activity coefficients and excess Gibbs free energies for the systems isobutyl methyl ketone(1)-1-pentanol(2) and isobutyl methyl ketone(1)-1-hexanol (2), J. Chem. Eng. Data, 1985, 30, 4, 394-397, https://doi.org/10.1021/je00042a008 . [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]

Rose and Supina, 1961
Rose, Arthur; Supina, W.R., Vapor Pressure and Vapor-Liquid Equilibrium Data for Methyl Esters of the Common Saturated Normal Fatty Acids., J. Chem. Eng. Data, 1961, 6, 2, 173-179, https://doi.org/10.1021/je60010a003 . [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]

Kelley, 1929, 2
Kelley, K.K., The heat capacities of ethyl and hexyl alcohols from 16°K to 298°K and the corresponding entropies and free energies, J. Am. Chem. Soc., 1929, 51, 779-786. [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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