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Pyrene

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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
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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus424. ± 3.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple423.81KN/AWong and Westrum, 1971Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Deltavap22.1 ± 0.26kcal/molCGCHanshaw, Nutt, et al., 2008AC
Deltavap20.8 ± 0.31kcal/molGCTeodorescu, Barhala, et al., 2006Based on data from 423. - 493. K.; AC
Quantity Value Units Method Reference Comment
Deltasub24.98kcal/molMESiddiqi, Siddiqui, et al., 2009Based on data from 341. - 418. K.; AC
Deltasub23.97 ± 0.24kcal/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
Deltasub23.5 ± 0.24kcal/molDSCRojas and Orozco, 2003AC
Deltasub23.95 ± 0.1kcal/molVSmith, Stewart, et al., 1980ALS
Deltasub23.95kcal/molN/ASmith, Stewart, et al., 1980DRB

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
18.8398.GCHinckley, Bidleman, et al., 1990Based on data from 343. - 453. K.; AC
18.428.N/ASasse, Jose, et al., 1988Based on data from 413. - 467. K.; AC
17.528.AStephenson and Malanowski, 1987Based on data from 513. - 668. K. See also Tsypikina and Ya, 1955.; AC
18.3440.N/ASmith, Stewart, et al., 1980Based on data from 398. - 458. 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
473.6 - 667.92.681421086.824-262.849Tsypkina, 1955Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
24.69 ± 0.50380.MESiddiqi, Siddiqui, et al., 2009Based on data from 341. - 418. K.; AC
24.6 ± 1.6353.MEOja and Suuberg, 1998Based on data from 308. - 398. K.; AC
23.4383.GSNass, Lenoir, et al., 1995Based on data from 313. - 453. K.; AC
23.97 ± 0.07353.PGSasse, Jose, et al., 1988Based on data from 369. - 383. K.; AC
21.8 ± 0.1303.GSSonnefeld, Zoller, et al., 1983Based on data from 283. - 323. K.; AC
23.95 ± 0.1410.IPSmith, Stewart, et al., 1980Based on data from 398. - 423. K.; AC
24.09 ± 0.36348. - 419.MEMalaspina, Bardi, et al., 1974AC
24.02330.MEHoyer and Peperle, 1958Based on data from 298. - 363. K.; AC
22.500344.75VBradley and Cleasby, 1953ALS
23.92 ± 0.41351.MEInokuchi, Shiba, et al., 1952Based on data from 345. - 358. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
3.99422.4DSCRojas and Orozco, 2003Based on data from 403. - 433. K.; AC
4.149423.8N/ADomalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
0.571120.8Domalski and Hearing, 1996CAL
9.792423.8

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.0691120.8crystaline, IIcrystaline, IWong and Westrum, 1971, 2DH
4.1501423.81crystaline, IliquidWong and Westrum, 1971, 2DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.550120.8crystaline, IIcrystaline, IWong and Westrum, 1971, 2DH
9.792423.81crystaline, IliquidWong 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:


References

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.

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]

Hanshaw, Nutt, et al., 2008
Hanshaw, William; Nutt, Marjorie; Chickos, James S., Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons, J. Chem. Eng. Data, 2008, 53, 8, 1903-1913, https://doi.org/10.1021/je800300x . [all data]

Teodorescu, Barhala, et al., 2006
Teodorescu, Mariana; Barhala, Alexandru; Dragoescu, Dana, Isothermal (vapour+liquid) equilibria for the binary (cyclopentanone or cyclohexanone with 1,1,2,2-tetrachloroethane) systems at temperatures of (343.15, 353.15, and 363.15)K, The Journal of Chemical Thermodynamics, 2006, 38, 11, 1432-1437, https://doi.org/10.1016/j.jct.2006.01.010 . [all data]

Siddiqi, Siddiqui, et al., 2009
Siddiqi, M. Aslam; Siddiqui, Rehan A.; Atakan, Burak, Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal «beta»-Diketonates, J. Chem. Eng. Data, 2009, 54, 10, 2795-2802, https://doi.org/10.1021/je9001653 . [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]

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]

Smith, Stewart, et al., 1980
Smith, N.K.; Stewart, R.C., Jr.; Osborn, A.G.; Scott, D.W., Pyrene: vapor pressure, enthalpy of combustion, and chemical thermodynamic properties, J. Chem. Thermodyn., 1980, 12, 919-926. [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]

Sasse, Jose, et al., 1988
Sasse, Karim; Jose, Jacques; Merlin, Jean-Claude, A static apparatus for measurement of low vapor pressures. Experimental results on high molecular-weight hydrocarbons, Fluid Phase Equilibria, 1988, 42, 287-304, https://doi.org/10.1016/0378-3812(88)80065-7 . [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]

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]

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]

Malaspina, Bardi, et al., 1974
Malaspina, L.; Bardi, G.; Gigli, R., Simultaneous determination by knudsen-effusion microcalorimetric technique of the vapor pressure and enthalpy of vaporization of pyrene and 1,3,5-triphenylbenzene, The Journal of Chemical Thermodynamics, 1974, 6, 11, 1053-1064, https://doi.org/10.1016/0021-9614(74)90067-6 . [all data]

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

Bradley and Cleasby, 1953
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]

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]

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]


Notes

Go To: Top, Phase change data, References