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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
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
Tfus381.0KN/ACasellato, Vecchi, et al., 1973Uncertainty assigned by TRC = 0.2 K; TRC
Tfus386.1KN/ASangster and Irvine, 1956Uncertainty assigned by TRC = 3. K; TRC
Tfus385.2KN/ASangster and Irvine, 1956Uncertainty assigned by TRC = 3. K; TRC
Tfus385.4KN/ASangster and Irvine, 1956Uncertainty assigned by TRC = 3. K; TRC
Tfus383.45KN/ASchuyer, Blom, et al., 1953Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple383.340KN/AWong and Westrum, 1971Uncertainty assigned by TRC = 0.005 K; TRC
Ttriple383.330KN/AWong and Westrum, 1971Uncertainty assigned by TRC = 0.005 K; TRC
Quantity Value Units Method Reference Comment
Δvap86.8 ± 1.3kJ/molGCRibeiro da Silva, Gomes, et al., 2005Based on data from 423. to 493. K.; AC
Quantity Value Units Method Reference Comment
Δsub101.2 ± 2.8kJ/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Δsub99.2 ± 0.8kJ/molVMorawetz, 1972ALS
Δsub99.2 ± 0.8kJ/molCMorawetz, 1972, 2See also Pedley and Rylance, 1977.; AC
Δsub102. ± 2.kJ/molVBoyd, Christensen, et al., 1965ALS
Δsub100.0kJ/molN/ABoyd, Christensen, et al., 1965DRB

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
79.3398.GCLei, Chankalal, et al., 2002Based on data from 323. to 473. K.; AC
77.4398.GCHinckley, Bidleman, et al., 1990Based on data from 343. to 453. K.; AC
62.2518.AStephenson and Malanowski, 1987Based on data from 503. to 658. K. See also Tsypikina and Ya, 1955.; 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
470. to 657.42.512131017.476-253.875Tsypkina, 1955Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
98.3383.GSNass, Lenoir, et al., 1995Based on data from 313. to 453. K.; AC
84.6 ± 0.9303.GSSonnefeld, Zoller, et al., 1983Based on data from 283. to 323. K.; AC
102. ± 2.340.MEBoyd, Christensen, et al., 1965Based on data from 328. to 353. K. See also Cox and Pilcher, 1970.; AC
102.6328.N/AHoyer and Peperle, 1958Based on data from 298. to 358. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
18.728383.36Wong and Westrum, 1971, 2DH
18.74383.4Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
48.85383.36Wong and Westrum, 1971, 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.

Casellato, Vecchi, et al., 1973
Casellato, F.; Vecchi, C.; Girell, A., Differential calorimetric study of polycyclic aromatic hydrocarbons, Thermochim. Acta, 1973, 6, 4, 361, https://doi.org/10.1016/0040-6031(73)87003-0 . [all data]

Sangster and Irvine, 1956
Sangster, R.C.; Irvine, J.W., Study of Organic Scintillators, J. Chem. Phys., 1956, 24, 670. [all data]

Schuyer, Blom, et al., 1953
Schuyer, J.; Blom, L.; Van Krevelen, D.W., Molar refraction of condensed aromatic compounds., Trans. Faraday Soc., 1953, 49, 1391. [all data]

Wong and Westrum, 1971
Wong, W.-K.; Westrum, E.F., Thermodynamics of Polynuclear Aromatic Molecules. 1. Heat Capacities and Enthalpies of Fusion of Pyrene, Fluoranthene, and Triphenylene, J. Chem. Thermodyn., 1971, 3, 105-24. [all data]

Ribeiro da Silva, Gomes, et al., 2005
Ribeiro da Silva, Manuel A.V.; Gomes, José R.B.; Ferreira, Ana I.M.C.L., Experimental and Computational Investigation of the Energetics of the Three Isomers of Monochloroaniline, J. Phys. Chem. B, 2005, 109, 27, 13356-13362, https://doi.org/10.1021/jp0519565 . [all data]

Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y., Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]

Morawetz, 1972
Morawetz, E., Enthalpies of vaporization for a number of aromatic compounds, J. Chem. Thermodyn., 1972, 4, 455. [all data]

Morawetz, 1972, 2
Morawetz, Ernst, Enthalpies of vaporization for a number of aromatic compounds, The Journal of Chemical Thermodynamics, 1972, 4, 3, 455-460, https://doi.org/10.1016/0021-9614(72)90029-8 . [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., , Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]

Boyd, Christensen, et al., 1965
Boyd, R.H.; Christensen, R.L.; Pua, R., The heats of combustion of acenaphthene, acenaphthylene, and fluoranthene. Strain and delocalization in bridged naphthalenes, J. Am. Chem. Soc., 1965, 87, 3554-3559. [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]

Tsypikina and Ya, 1955
Tsypikina, O.; Ya, J., J. Appl. Chem. USSR, 1955, 28, 167. [all data]

Tsypkina, 1955
Tsypkina, O.Y., Study of Vacuum Pressure Influence on Efficiency of Separation of Some Polynuclear Compounds of Coal Tar Rectifications, Zh. Prikl. Khim. (Moscow), 1955, 28, 2, 185-192. [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]

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]

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

Wong and Westrum, 1971, 2
Wong, W-K.; Westrum, E.F., Jr., Thermodynamics of polynuclear aromatic molecules. I. Heat capacities and enthalpies of fusion of pyrene, flouranthene, and triphenylene, J. Chem. Thermodynam., 1971, 3, 105-124. [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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