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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.

Quantity Value Units Method Reference Comment
Tboil506. ± 1.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus323. ± 2.KAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Tc698.3KN/ARadice, 1899Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Deltavap16.9kcal/molGCHoskovec, Grygarová, et al., 2005Based on data from 333. - 433. K.; AC
Deltavap16.4kcal/molGCvan Roon, Parsons, et al., 2002AC
Deltavap16.8kcal/molCGCChickos, Hosseini, et al., 1995Based on data from 393. - 433. K.; AC
Quantity Value Units Method Reference Comment
Deltasub22.88kcal/molCBertholon, Giray, et al., 1971ALS
Deltasub22.8kcal/molN/ABertholon, Giray, et al., 1971DRB
Deltasub21.9kcal/molN/ASherwood and Bryant, 1957Based on data from 283. - 323. K. See also Stephenson and Malanowski, 1987.; AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
14.0396.AStephenson and Malanowski, 1987Based on data from 381. - 514. K.; AC
15.1373.N/AStage, Müller, et al., 1953Based on data from 339. - 514. K.; AC
14.0398.N/AStage, Müller, et al., 1953Based on data from 339. - 514. K.; AC
13.2423.N/AStage, Müller, et al., 1953Based on data from 339. - 514. K.; AC
12.6448.N/AStage, Müller, et al., 1953Based on data from 339. - 514. K.; AC
12.3473.N/AStage, Müller, et al., 1953Based on data from 339. - 514. K.; AC
13.1352.N/AStull, 1947Based on data from 337. - 505. K.; 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
337.5 - 505.05.288242522.332-28.575Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
17.9284.AStephenson and Malanowski, 1987Based on data from 273. - 295. K. See also Aihara, 1960.; AC
21.3 ± 1.1303.HSAChickos, 1975Based on data from 293. - 323. K.; AC
21.8 ± 0.98273. - 313.TECox and Pilcher, 1970See also Jones, 1960 and Balson, 1947.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
5.261324.2Chickos, Braton, et al., 1991AC

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.

Radice, 1899
Radice, G., , Ph. D. Thesis, Univ. of Geneve, 1899. [all data]

Hoskovec, Grygarová, et al., 2005
Hoskovec, Michal; Grygarová, Dana; Cvacka, Josef; Streinz, Ludvík; Zima, Jirí; Verevkin, Sergey P.; Koutek, Bohumír, Determining the vapour pressures of plant volatiles from gas chromatographic retention data, Journal of Chromatography A, 2005, 1083, 1-2, 161-172, https://doi.org/10.1016/j.chroma.2005.06.006 . [all data]

van Roon, Parsons, et al., 2002
van Roon, André; Parsons, John R.; Govers, Harrie A.J., Gas chromatographic determination of vapour pressure and related thermodynamic properties of monoterpenes and biogenically related compounds, Journal of Chromatography A, 2002, 955, 1, 105-115, https://doi.org/10.1016/S0021-9673(02)00200-5 . [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]

Bertholon, Giray, et al., 1971
Bertholon, G.; Giray, M.; Perrin, R.; Vincent-Falquet-Berny, M.F., No. 532. - Etude physicochimique des phenols. OX. - Ethanlpies de combustion et energies de resonance des alcoyl et aryphenols, Bull. Soc. Chim. France, 1971, 3180-3187. [all data]

Sherwood and Bryant, 1957
Sherwood, T.K.; Bryant, J.H., Jr., Can. J. Chem. Eng., 1957, 35, 51. [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]

Stage, Müller, et al., 1953
Stage, H.; Müller, E.; Faldix, P., Erdol u Kohle, 1953, 6, 375. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Aihara, 1960
Aihara, Ariyuki, Estimation of the Energy of Hydrogen Bonds Formed in Crystals. II. Phenols, Bull. Chem. Soc. Jpn., 1960, 33, 2, 194-200, https://doi.org/10.1246/bcsj.33.194 . [all data]

Chickos, 1975
Chickos, James Speros, A simple equilibrium method for determining heats of sublimation, J. Chem. Educ., 1975, 52, 2, 134-39, https://doi.org/10.1021/ed052p134 . [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]

Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]

Balson, 1947
Balson, E.W., Studies in vapour pressure measurement, Part III.?An effusion manometer sensitive to 5 «65533» 10?6 millimetres of mercury: vapour pressure of D.D.T. and other slightly volatile substances, Trans. Faraday Soc., 1947, 43, 54, https://doi.org/10.1039/tf9474300054 . [all data]

Chickos, Braton, et al., 1991
Chickos, James S.; Braton, C. Marie; Hesse, Donald G.; Liebman, Joel F., Estimating entropies and enthalpies of fusion of organic compounds, J. Org. Chem., 1991, 56, 3, 927-938, https://doi.org/10.1021/jo00003a007 . [all data]


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