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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
DH - Eugene S. Domalski and Elizabeth D. Hearing
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil609.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil613.2KN/AWeast and Grasselli, 1989BS
Tboil605.15KN/AKirby, 1921Uncertainty assigned by TRC = 5. K; TRC
Tboil601.15KN/AKirby, 1921Uncertainty assigned by TRC = 3. K; TRC
Tboil613.15KN/ABeilstein, 1919Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus372. ± 2.KAVGN/AAverage of 32 out of 35 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple372.38KN/AFinke, Messerly, et al., 1977Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; C3 - C2 and C2 - C1 are second order transitions; TRC
Ttriple372.38KN/AOsborn and Douslin, 1975Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc869. ± 1.KN/ATsonopoulos and Ambrose, 1995 
Tc869.3KN/ACheng, 1963Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltavap78.7kJ/molCGCZhao, Unhannanant, et al., 2008AC
Deltavap79.0 ± 1.2kJ/molGCHaftka, Parsons, et al., 2006Based on data from 413. - 483. K.; AC
Deltavap78.7kJ/molCGCChickos, Hesse, et al., 1998AC
Deltavap78.5kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 403. - 453. K.; AC
Quantity Value Units Method Reference Comment
Deltasub91. ± 3.kJ/molAVGN/AAverage of 12 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
485.70.016Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
87.240350.N/ATorres-Gomez, Barreiro-Rodriguez, et al., 1988DH
72.2398.GCLei, Chankalal, et al., 2002Based on data from 323. - 473. K.; AC
71.2398.GCHinckley, Bidleman, et al., 1990Based on data from 343. - 453. K.; AC
58.2406.AStephenson and Malanowski, 1987Based on data from 391. - 613. K.; AC
69.6388.AStephenson and Malanowski, 1987Based on data from 373. - 423. K. See also Osborn and Douslin, 1975, 2.; AC
71.2372.N/AFinke, Messerly, et al., 1977, 2AC
69.7390.N/AFinke, Messerly, et al., 1977, 2AC
67.5420.N/AFinke, Messerly, et al., 1977, 2AC
57.2548.IMortimer and Murphy, 1923Based on data from 476. - 620. K.; AC
61.2491.IMortimer and Murphy, 1923Based on data from 476. - 620. K. See also Boublik, Fried, et al., 1984.; AC
59.3560.INELSON and SENSEMAN, 1922Based on data from 505. - 614. K.; AC
61.2520.INELSON and SENSEMAN, 1922Based on data from 505. - 614. K. See also Boublik, Fried, et al., 1984.; AC

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
249.3350.Torres-Gomez, Barreiro-Rodriguez, et al., 1988DH

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
373. - 423.4.519222428.448-70.96Osborn and Douslin, 1975, 2Coefficents calculated by NIST from author's data.
476.8 - 619.94.68942673.32-40.7Mortimer and Murphy, 1923Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
90.900298.15N/ATorres-Gomez, Barreiro-Rodriguez, et al., 1988DH
91.6 ± 0.4323.MERibeiro da Silva, Monte, et al., 2006Based on data from 313. - 333. K.; AC
95.0 ± 4.4318.MEOja and Suuberg, 1998Based on data from 303. - 333. K.; AC
88.9383.GSNass, Lenoir, et al., 1995Based on data from 313. - 453. K.; AC
87.2 ± 1.1350.DSCTorres-Gomez, Barreiro-Rodriguez, et al., 1988AC
96.2335.GSSATO, INOMATA, et al., 1986Based on data from 323. - 348. K.; AC
82. ± 2.340.TEFerro, Imperatori, et al., 1983Based on data from 317. - 362. K.; AC
95.0 ± 0.6303.GSSonnefeld, Zoller, et al., 1983Based on data from 283. - 323. K.; AC
87.2345.GSMacknick and Prausnitz, 1979Based on data from 325. - 364. K.; AC
87.2372.BOsborn and Douslin, 1975, 2AC
84.1 ± 2.5297.TEBudurov, 1960Based on data from 279. - 315. K.; AC
95.9303.N/AHoyer and Peperle, 1958Based on data from 273. - 333. K. See also Cox and Pilcher, 1970.; AC
95.8 ± 2.9213.VHoyer and Peperle, 1958, 2Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 92.9 kJ/mol; ALS
86.6310. - 323.N/ABradley and Cleasby, 1953See also Cox and Pilcher, 1970.; AC
86.609309.7VBradley and Cleasby, 1953, 2ALS
90.7 ± 1.2315.MEInokuchi, Shiba, et al., 1952AC
81.6323.MEInokuchi, 1951AC
84.1293.VMagnus, Hartmann, et al., 1951ALS
84.1 ± 0.8313.N/AWolf and Weghofer, 1938AC
84.1 ± 0.8323.VWolf and Weghofer, 1938, 2ALS

Entropy of sublimation

DeltasubS (J/mol*K) Temperature (K) Reference Comment
304.9298.15Torres-Gomez, Barreiro-Rodriguez, et al., 1988DH

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
15.720373.81N/ASabbah and El Watik, 1992DH
18.627(373.)N/ARai, Singh, et al., 1987DH
18.000373.2N/ARastogi and Bassi, 1964DH
16.6367.6DSCRojas and Orozco, 2003Based on data from 353. - 383. K.; AC
16.2372.9DSCLisicki and Jamróz, 2000AC
16.46372.4N/ADomalski and Hearing, 1996AC
17.150371.4N/AEibert, 1944DH
17.138371.7N/ASchmidt, 1941DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
49.9(373.)Rai, Singh, et al., 1987DH
48.2373.2Rastogi and Bassi, 1964DH
46.2371.4Eibert, 1944DH
46.1371.7Schmidt, 1941DH

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
~270.crystaline, IIIcrystaline, IIFinke, Messerly, et al., 1977, 2Second-order glass-type transition.; DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.000332.2crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH
0.218347.5crystaline, IIcrystaline, IFinke, Messerly, et al., 1977, 2Lambda transition.; DH
16.4628372.38crystaline, IliquidFinke, Messerly, et al., 1977, 2DH
2.600342.crystaline, IIcrystaline, IUeberreiter and Orthmann, 1950DH
18.620373.crystaline, IliquidUeberreiter and Orthmann, 1950DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
3.0332.2crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH
0.63347.5crystaline, IIcrystaline, IFinke, Messerly, et al., 1977, 2Lambda; DH
44.21372.38crystaline, IliquidFinke, Messerly, et al., 1977, 2DH
7.6342.crystaline, IIcrystaline, IUeberreiter and Orthmann, 1950DH
49.9373.crystaline, IliquidUeberreiter and Orthmann, 1950DH

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.

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Kirby, 1921
Kirby, W., Determination of the Melting and Boiling Points of Anthracene, Phenanthrene and Carbazole, J. Soc. Chem. Ind., London, Trans. Commun., 1921, 40, 274T. [all data]

Beilstein, 1919
Beilstein, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1919, 93, 641. [all data]

Finke, Messerly, et al., 1977
Finke, H.L.; Messerly, J.F.; Lee, S.H.; Osborn, A.G.; Douslin, D.R., Comprehensive thermodynamic studies of seven aromatic hydrocarbons, J. Chem. Thermodyn., 1977, 9, 937. [all data]

Osborn and Douslin, 1975
Osborn, A.G.; Douslin, D.R., Vapor Pressure and Derived Enthalpies of Vaporization for Some Condensed Ring Hydrocarbons, J. Chem. Eng. Data, 1975, 20, 229-31. [all data]

Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons, J. Chem. Eng. Data, 1995, 40, 547-558. [all data]

Cheng, 1963
Cheng, D.C.H., Critical temperatures and volumes of some binary systems, Chem. Eng. Sci., 1963, 18, 715. [all data]

Zhao, Unhannanant, et al., 2008
Zhao, Hui; Unhannanant, Patamaporn; Hanshaw, William; Chickos, James S., Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects, J. Chem. Eng. Data, 2008, 53, 7, 1545-1556, https://doi.org/10.1021/je800091s . [all data]

Haftka, Parsons, et al., 2006
Haftka, Joris J.H.; Parsons, John R.; Govers, Harrie A.J., Supercooled liquid vapour pressures and related thermodynamic properties of polycyclic aromatic hydrocarbons determined by gas chromatography, Journal of Chromatography A, 2006, 1135, 1, 91-100, https://doi.org/10.1016/j.chroma.2006.09.050 . [all data]

Chickos, Hesse, et al., 1998
Chickos, James; Hesse, Donald; Hosseini, Sarah; Nichols, Gary; Webb, Paul, Sublimation enthalpies at 298.15K using correlation gas chromatography and differential scanning calorimetry measurements, Thermochimica Acta, 1998, 313, 2, 101-110, https://doi.org/10.1016/S0040-6031(97)00432-2 . [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]

Torres-Gomez, Barreiro-Rodriguez, et al., 1988
Torres-Gomez, L.A.; Barreiro-Rodriguez, G.; Galarza-Mondragon, A., A new method for the measurement of enthalpies of sublimation using differential scanning calorimetry, Thermochim. Acta, 1988, 124, 229-233. [all data]

Lei, Chankalal, et al., 2002
Lei, Ying Duan; Chankalal, Raymond; Chan, Anita; Wania, Frank, Supercooled Liquid Vapor Pressures of the Polycyclic Aromatic Hydrocarbons, J. Chem. Eng. Data, 2002, 47, 4, 801-806, https://doi.org/10.1021/je0155148 . [all data]

Hinckley, Bidleman, et al., 1990
Hinckley, Daniel A.; Bidleman, Terry F.; Foreman, William T.; Tuschall, Jack R., Determination of vapor pressures for nonpolar and semipolar organic compounds from gas chromatograhic retention data, J. Chem. Eng. Data, 1990, 35, 3, 232-237, https://doi.org/10.1021/je00061a003 . [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]

Osborn and Douslin, 1975, 2
Osborn, Ann G.; Douslin, Donald R., Vapor pressures and derived enthalpies of vaporization for some condensed-ring hydrocarbons, J. Chem. Eng. Data, 1975, 20, 3, 229-231, https://doi.org/10.1021/je60066a022 . [all data]

Finke, Messerly, et al., 1977, 2
Finke, H.L.; Messerly, J.F.; Lee, S.H.; Osborn, A.G.; Douslin, D.R., Comprehensive thermodynamic studies of seven aromatic hydrocarbons, J. Chem. Thermodyn., 1977, 9, 937-956. [all data]

Mortimer and Murphy, 1923
Mortimer, F. Spencer.; Murphy, Ray v., The Vapor Pressures of Some Substances Found in Coal Tar., Ind. Eng. Chem., 1923, 15, 11, 1140-1142, https://doi.org/10.1021/ie50167a012 . [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]

NELSON, O.A.; SENSEMAN, C.E., Vapor Pressure Determinations on Naphthalene, Anthracene, Phecanthrene, and Anthraquinone between Their Melting and Boiling Points, J. Ind. Eng. Chem., 1922, 14, 1, 58-62, https://doi.org/10.1021/ie50145a028 . [all data]

Ribeiro da Silva, Monte, et al., 2006
Ribeiro da Silva, Manuel A.V.; Monte, Manuel J.S.; Santos, Luís M.N.B.F., The design, construction, and testing of a new Knudsen effusion apparatus, The Journal of Chemical Thermodynamics, 2006, 38, 6, 778-787, https://doi.org/10.1016/j.jct.2005.08.013 . [all data]

Oja and Suuberg, 1998
Oja, Vahur; Suuberg, Eric M., Vapor Pressures and Enthalpies of Sublimation of Polycyclic Aromatic Hydrocarbons and Their Derivatives, J. Chem. Eng. Data, 1998, 43, 3, 486-492, https://doi.org/10.1021/je970222l . [all data]

Nass, Lenoir, et al., 1995
Nass, Karen; Lenoir, Dieter; Kettrup, Antonius, Calculation of the Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons by an Incremental Procedure, Angew. Chem. Int. Ed. Engl., 1995, 34, 16, 1735-1736, https://doi.org/10.1002/anie.199517351 . [all data]

SATO, INOMATA, et al., 1986
SATO, NOBUYUKI; INOMATA, HIROSHI; ARAI, KUNIO; SAITO, SHOZABURO, Measurement of vapor pressures for coal-related aromatic compounds by gas saturation method., J. Chem. Eng. Japan / JCEJ, 1986, 19, 2, 145-147, https://doi.org/10.1252/jcej.19.145 . [all data]

Ferro, Imperatori, et al., 1983
Ferro, Daniela; Imperatori, Patrizia; Quagliata, Claudio, Study of the stability of the phenanthrene- and 1,2-benzanthracene-choleic acids by vapor pressure measurements, J. Chem. Eng. Data, 1983, 28, 2, 242-244, https://doi.org/10.1021/je00032a031 . [all data]

Sonnefeld, Zoller, et al., 1983
Sonnefeld, W.J.; Zoller, W.H.; May, W.E., Dynamic coupled-column liquid-chromatographic determination of ambient-temperature vapor pressures of polynuclear aromatic hydrocarbons, Anal. Chem., 1983, 55, 2, 275-280, https://doi.org/10.1021/ac00253a022 . [all data]

Macknick and Prausnitz, 1979
Macknick, A. Brian; Prausnitz, John M., Vapor pressures of high-molecular-weight hydrocarbons, J. Chem. Eng. Data, 1979, 24, 3, 175-178, https://doi.org/10.1021/je60082a012 . [all data]

Budurov, 1960
Budurov, S., Izv. Khim. Inst. Bulg. Akad. Nauk, 1960, 7, 281. [all data]

Hoyer and Peperle, 1958
Hoyer, H.; Peperle, W., Z. Elektrochem., 1958, 62, 61. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Hoyer and Peperle, 1958, 2
Hoyer, H.; Peperle, W., Dampfdrunkmessungen an organischen substanzen und ihre sublimationswarmen, Z. Electrochem., 1958, 62, 61-66. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Bradley and Cleasby, 1953
Bradley, R.S.; Cleasby, T.G., 346. The vapour pressure and lattice energy of hydrogen-bonded crystals. Part I. Oxamide, oxamic acid, and rubeanic acid, J. Chem. Soc., 1953, 1681, https://doi.org/10.1039/jr9530001681 . [all data]

Bradley and Cleasby, 1953, 2
Bradley, R.S.; Cleasby, T.G., The vapour pressure and lattice energy of some aromatic ring compounds, J. Am. Chem. Soc., 1953, 1690-16. [all data]

Inokuchi, Shiba, et al., 1952
Inokuchi, Hiroo; Shiba, Sukekuni; Handa, Takashi; Akamatu, Hideo, Heats of Sublimation of Condensed Polynuclear Aromatic Hydrocarbons, Bull. Chem. Soc. Jpn., 1952, 25, 5, 299-302, https://doi.org/10.1246/bcsj.25.299 . [all data]

Inokuchi, 1951
Inokuchi, H., J. Chem. Soc. Jpn. Pure Chem. Sect., 1951, 72, 552. [all data]

Magnus, Hartmann, et al., 1951
Magnus, A.; Hartmann, H.; Becker, F., Verbrennungswarmen und resonanzenergien von mehrkernigen aromatischen kohlenwasserstoffen, Z. Phys. Chem., 1951, 197, 75-91. [all data]

Wolf and Weghofer, 1938
Wolf, K.L.; Weghofer, H.Z., Z. Phys. Chem. Abt. B, 1938, 39, 194. [all data]

Wolf and Weghofer, 1938, 2
Wolf, K.L.; Weghofer, H., Uber sublimationswarmen, Z. Phys. Chem., 1938, 39, 194-208. [all data]

Sabbah and El Watik, 1992
Sabbah, R.; El Watik, L., New reference materials for the calibration (temperature and energy) of differential thermal analysers and scanning calorimeters, J. Therm. Anal., 1992, 38(4), 855-863. [all data]

Rai, Singh, et al., 1987
Rai, U.S.; Singh, O.P.; Singh, N.B., Some thermodynamic aspects of organic eutectics, succinonitrile-phenanthrene system, Indian J. Chem., 1987, 26A, 947-949. [all data]

Rastogi and Bassi, 1964
Rastogi, R.P.; Bassi, P.S., Mechanism of eutectic crystallization, J. Phys. Chem., 1964, 68, 2398-2406. [all data]

Rojas and Orozco, 2003
Rojas, Aarón; Orozco, Eulogio, Measurement of the enthalpies of vaporization and sublimation of solids aromatic hydrocarbons by differential scanning calorimetry, Thermochimica Acta, 2003, 405, 1, 93-107, https://doi.org/10.1016/S0040-6031(03)00139-4 . [all data]

Lisicki and Jamróz, 2000
Lisicki, Zygmunt; Jamróz, Malgorzata E., (Solid + liquid) equilibria in (polynuclear aromatic+ tertiary amide) systems, The Journal of Chemical Thermodynamics, 2000, 32, 10, 1335-1353, https://doi.org/10.1006/jcht.2000.0685 . [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]

Eibert, 1944
Eibert, J., Thesis Washington University (St. Louis), 1944. [all data]

Schmidt, 1941
Schmidt, W.R., Thesis Washington University (St. Louis), 1941. [all data]

Petropavlov, Tsygankova, et al., 1988
Petropavlov, N.N.; Tsygankova, I.G.; Teslenko, L.A., Microcalorimetric investigation of polymorphic transitions in organic crystals, Sov. Phys. Crystallogr., 1988, 33(6), 853-855. [all data]

Ueberreiter and Orthmann, 1950
Ueberreiter, K.; Orthmann, H.-J., Specifische Wärme, spezifisches Volumen, Temperatur- und Wärme-leittähigkeit einiger disubstituierter Benzole und polycyclischer Systeme, Z. Natursforsch. 5a, 1950, 101-108. [all data]


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