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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
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil447.2 ± 0.3KAVGN/AAverage of 34 out of 43 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus243.3 ± 0.6KAVGN/AAverage of 23 out of 25 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple243.4 ± 0.3KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tc617.8 ± 0.7KAVGN/AAverage of 16 out of 18 values; Individual data points
Quantity Value Units Method Reference Comment
Pc21.1 ± 0.8barAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.624l/molN/AAmbrose and Tsonopoulos, 1995 
Quantity Value Units Method Reference Comment
rhoc1.60 ± 0.05mol/lN/AAmbrose and Tsonopoulos, 1995 
rhoc1.67mol/lN/ASteele, 1992Uncertainty assigned by TRC = 0.070 mol/l; TRC
rhoc1.60mol/lN/AAnselme, Gude, et al., 1990Uncertainty assigned by TRC = 0.04 mol/l; TRC
rhoc1.67mol/lN/AKnipmeyer, Archer, et al., 1989Uncertainty assigned by TRC = 0.070 mol/l; TRC
rhoc1.595mol/lN/AGehrig and Lentz, 1983Uncertainty assigned by TRC = 0.04 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap51.3 ± 0.3kJ/molAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Deltasub80.3kJ/molBSwain, Kwan, et al., 1980AC
Deltasub82.4kJ/molHBondi, 1963See also Chickos, Hosseini, et al., 1993.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
38.75447.3N/AMajer and Svoboda, 1985 
48.3339.GCMokbel, Razzouk, et al., 2007Based on data from 324. - 402. K.; AC
46.6352.N/ABatiu, 2002Based on data from 337. - 376. K.; AC
51.5299.CViton, Chavret, et al., 1996AC
50.5314.CViton, Chavret, et al., 1996AC
50.1324.CViton, Chavret, et al., 1996AC
49.2334.CViton, Chavret, et al., 1996AC
42.5424.N/ALee, Dempsey, et al., 1992Based on data from 409. - 584. K.; AC
48.1340.EB,IPChirico, Nguyen, et al., 1989Based on data from 268. - 490. K.; AC
53.8267.AStephenson and Malanowski, 1987Based on data from 252. - 383. K.; AC
41.7462.AStephenson and Malanowski, 1987Based on data from 447. - 526. K.; AC
38.6539.AStephenson and Malanowski, 1987Based on data from 524. - 617. K.; AC
45.3388.N/AStephenson and Malanowski, 1987Based on data from 373. - 443. K. See also Varushchenko, Belikova, et al., 1970.; AC
50.3313.GSAllemand, Jose, et al., 1986Based on data from 298. - 347. K.; AC
49.8 ± 1.7308. - 351.N/ABeckhaus, Ruchardt, et al., 1984AC
55.9258.N/ACarruth and Kobayashi, 1973Based on data from 243. - 310. K.; AC
45.5383.MMWillingham, Taylor, et al., 1945Based on data from 368. - 440. K.; AC

Enthalpy of vaporization

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

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 444.74.380.3238617.4Majer and Svoboda, 1985 

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
243.49 - 310.590.21021440.616-156.896Carruth and Kobayashi, 1973Coefficents calculated by NIST from author's data.
367.63 - 448.274.078571501.268-78.67Williamham, Taylor, et al., 1945 

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
84.8243.BBondi, 1963AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
28.715243.51N/AFinke, Gross, et al., 1954DH
27.6243.DSCMarti, Kaisersberger, et al., 2004AC
28.7243.5N/ADomalski and Hearing, 1996AC
28.778243.1N/AHuffman, Parks, et al., 1931DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
117.92243.51Finke, Gross, et al., 1954DH
117.99243.5Domalski and Hearing, 1996CAL
118.4243.1Huffman, Parks, et al., 1931DH

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.

Ambrose and Tsonopoulos, 1995
Ambrose, D.; Tsonopoulos, C., Vapor-Liquid Critical Properties of Elements and Compounds. 2. Normal Alkenes, J. Chem. Eng. Data, 1995, 40, 531-546. [all data]

Steele, 1992
Steele, W.V., Personal Commun. 1992 1992, 1992. [all data]

Anselme, Gude, et al., 1990
Anselme, M.J.; Gude, M.; Teja, A.S., The Critical Temperatures and Densities of the n-Alkanes from Pentane to Octadecane, Fluid Phase Equilib., 1990, 57, 317-26. [all data]

Knipmeyer, Archer, et al., 1989
Knipmeyer, S.E.; Archer, D.G.; Chirico, R.D.; Gammon, B.E.; Hossenlopp, I.A.; Nguyen, A.; Smith, N.K.; Steele, W.V.; Strube, M.M., High-temperature enthalpy and critical property measurements using differential scanning calorimeter, Fluid Phase Equilib., 1989, 52, 185. [all data]

Gehrig and Lentz, 1983
Gehrig, M.; Lentz, H., Values of the pressure-molar volume-temperature relationship for n-decane up to 300 MPa and 673 K, J. Chem. Thermodyn., 1983, 15, 1159-1167. [all data]

Swain, Kwan, et al., 1980
Swain, H.A.; Kwan, Chiu-Yin; Sung, Ho-Nan, Measurement of vapor pressures from 20 to 30.degree.C of long-chain peroxy acids, J. Phys. Chem., 1980, 84, 11, 1347-1349, https://doi.org/10.1021/j100448a012 . [all data]

Bondi, 1963
Bondi, A., Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments., J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027 . [all data]

Chickos, Hosseini, et al., 1993
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G.; Liebman, Joel F., Heat capacity corrections to a standard state: a comparison of new and some literature methods for organic liquids and solids, Struct Chem, 1993, 4, 4, 271-278, https://doi.org/10.1007/BF00673701 . [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]

Mokbel, Razzouk, et al., 2007
Mokbel, Ilham; Razzouk, Antonio; Hajjaji, Ahmed; Msakni, Nizar; Jose, Jacques, A Gas Saturation Apparatus for Very Low Vapor or Sublimation Pressure Measurements (10 -3 Pa): Vapor-Liquid Equilibria of n -Alkanes ( n -C 10 , n -C 24 , n -C 28 ), J. Chem. Eng. Data, 2007, 52, 5, 1720-1725, https://doi.org/10.1021/je7001122 . [all data]

Batiu, 2002
Batiu, I., Vapor--liquid equilibria in the binary systems n-decane+(-)-menthone and n-decane+(+)-fenchone at temperatures between 344.45 and 390.75 K, Fluid Phase Equilibria, 2002, 198, 1, 111-121, https://doi.org/10.1016/S0378-3812(01)00759-2 . [all data]

Viton, Chavret, et al., 1996
Viton, C.; Chavret, M.; Jose, J., Enthalpies of vaporization of normal alkanes from nonane to pentadecane at temperatures from 298 to 359 K, ELDATA: Int. Electron. J. Phys. Chem. Data, 1996, 2, 3, 103. [all data]

Lee, Dempsey, et al., 1992
Lee, Chang Ha; Dempsey, Dennis M.; Mohamed, Rahoma S.; Holder, Gerald D., Vapor-liquid equilibria in the systems of n-decane/tetralin, n-hexadecane/tetralin, n-decane/1-methylnaphthalene, and 1-methylnaphthalene/tetralin, J. Chem. Eng. Data, 1992, 37, 2, 183-186, https://doi.org/10.1021/je00006a012 . [all data]

Chirico, Nguyen, et al., 1989
Chirico, R.D.; Nguyen, A.; Steele, W.V.; Strube, M.M., Vapor pressure of n-alkanes revisited. New high-precision vapor pressure data on n-decane, n-eicosane, and n-octacosane, J. Chem. Eng. Data, 1989, 34, 149-156. [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]

Varushchenko, Belikova, et al., 1970
Varushchenko, R.M.; Belikova, N.A.; Skuratov, S.M.; Plate, A.F., Zh. Fiz. Khim., 1970, 44, 12, 3022. [all data]

Allemand, Jose, et al., 1986
Allemand, Nadine; Jose, Jacques; Merlin, J.C., Mesure des pressions de vapeur d'hydrocarbures C10 A C18n-alcanes etn-alkylbenzenes dans le domaine 3-1000 pascal, Thermochimica Acta, 1986, 105, 79-90, https://doi.org/10.1016/0040-6031(86)85225-X . [all data]

Beckhaus, Ruchardt, et al., 1984
Beckhaus, H.D.; Ruchardt, C.; Smisek, M., Anwendung von kraftfeldrechnungen. VI. Verbrennungsenthalpie und bildungsenthalpie von 4-carbomethoxy-homocuban und homocuban-4-carbonsaure-ein testfall zur berechnung von bildungsenthalpien nach dem kraftfeldverfahren, Thermochim. Acta, 1984, 79, 149-159. [all data]

Carruth and Kobayashi, 1973
Carruth, Grant F.; Kobayashi, Riki, Vapor pressure of normal paraffins ethane through n-decane from their triple points to about 10 mm mercury, J. Chem. Eng. Data, 1973, 18, 2, 115-126, https://doi.org/10.1021/je60057a009 . [all data]

Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons, J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009 . [all data]

Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009 . [all data]

Finke, Gross, et al., 1954
Finke, H.L.; Gross, M.E.; Waddington, G.; Huffman, H.M., Low-temperature thermal data for the nine normal paraffin hydrocarbons from octane to hexadecane, J. Am. Chem. Soc., 1954, 76, 333-341. [all data]

Marti, Kaisersberger, et al., 2004
Marti, E.; Kaisersberger, E.; Emmerich, W.-D., New aspects of thermal analysis, Part I. Resolution of DSC and means for its optimization, Journal of Thermal Analysis and Calorimetry, 2004, 77, 3, 905-934, https://doi.org/10.1023/B:JTAN.0000041669.06816.36 . [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]

Huffman, Parks, et al., 1931
Huffman, H.M.; Parks, G.S.; Barmore, M., Thermal data on organic compounds. X. Further studies on the heat capacities, entropies and free energies of hydrocarbons, J. Am. Chem. Soc., 1931, 53, 3876-3888. [all data]


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