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Pyrrole

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

Quantity Value Units Method Reference Comment
Tboil403. ± 1.KAVGN/AAverage of 15 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus250.15KN/ARosso and Carbonnel, 1973Uncertainty assigned by TRC = 0.6 K; TRC
Tfus254.7KN/ATimmermans and Hennaut-Roland, 1955Uncertainty assigned by TRC = 0.5 K; TRC
Tfus249.7KN/AAnonymous, 1942Uncertainty assigned by TRC = 0.2 K; TRC
Tfus238.8KN/AMilazzo, 1941Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Ttriple249.7300KN/AScott, Berg, et al., 1967Uncertainty assigned by TRC = 0.07 K; by extrapolation of 1/f to zero; TRC
Ttriple249.74KN/AHelm, Lanum, et al., 1958Uncertainty assigned by TRC = 0.03 K; measured in calorimeter at U.S. Bur. Mines, Bartlesville, OK; TRC
Ttriple249.74KN/AMcCullough and Waddington, 1957Uncertainty assigned by TRC = 0.06 K; IPTS-48, from freezing curve; TRC
Ttriple249.74KN/AMcCullough and Waddington, 1957Uncertainty assigned by TRC = 0.06 K; IPTS-48, from heating curve; TRC
Ttriple249.75KN/AAnonymous, 1956Uncertainty assigned by TRC = 0.08 K; TRC
Quantity Value Units Method Reference Comment
Tc639.8KN/AMajer and Svoboda, 1985 
Tc639.7KN/ACheng, McCoubrey, et al., 1962Uncertainty assigned by TRC = 1.5 K; extrapolated to zero time to correct for decomposition cal. vs NPL thermometer.; TRC
Tc625.15KN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Pc56.000atmN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 3.0000 atm; TRC
Quantity Value Units Method Reference Comment
Deltavap10. ± 1.kcal/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.261403.N/AMajer and Svoboda, 1985 
10.2300.N/AKimizuka and Szydlowski, 1992Based on data from 285. - 329. K.; AC
10.2353.A,EB,IPStephenson and Malanowski, 1987Based on data from 338. - 440. K. See also Osborn and Douslin, 1968 and Scott, Berg, et al., 1967, 2.; AC
10.0328.IEon, Pommier, et al., 1971Based on data from 313. - 373. K.; AC
10.0348.N/AStull, 1947Based on data from 333. - 373. K.; AC

Enthalpy of vaporization

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

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Temperature (K) A (kcal/mol) beta Tc (K) Reference Comment
362. - 403.15.00.2964639.8Majer and Svoboda, 1985 

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
333.4 - 373.55.315202074.447-9.186Eon, Pommier, et al., 1971Coefficents calculated by NIST from author's data.
338.82 - 439.264.421941506.877-62.155Osborn and Douslin, 1968 

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.8900249.74Scott, Berg, et al., 1967, 2DH
1.89249.7Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
7.567249.74Scott, Berg, et al., 1967, 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.

Rosso and Carbonnel, 1973
Rosso, M.J.-C.; Carbonnel, L., Hydrates + cubic clathrates generated by the nitrogenous meterocycles: the binary systems water + propylene imine and water + pyrrole, C. R. Seances Acad. Sci., Ser. C, 1973, 277, 259. [all data]

Timmermans and Hennaut-Roland, 1955
Timmermans, J.; Hennaut-Roland, M., Work of the International Bureau of Physical-Chemical Standards. IX. The Physical Constants of Twenty Organic Compounds, J. Chim. Phys. Phys.-Chim. Biol., 1955, 52, 223. [all data]

Anonymous, 1942
Anonymous, R., , Am. Pet. Inst. Res. Proj. 6, Natl. Bur. Stand., 1942. [all data]

Milazzo, 1941
Milazzo, G., Boll. Sci. Facolta Chim. Ind. Bologna, 1941, 94. [all data]

Scott, Berg, et al., 1967
Scott, D.W.; Berg, W.T.; Hossenlopp, I.A.; Hubbard, W.N.; Messerly, J.F.; Todd, S.S.; Douslin, D.R.; McCullough, J.P.; Waddington, G., Pyrrole: Chemical Thermodynamic Properties, J. Phys. Chem., 1967, 71, 2263. [all data]

Helm, Lanum, et al., 1958
Helm, R.V.; Lanum, W.J.; Cook, G.L.; Ball, J.S., Purification and Properties of Pyrrole, Pyrrolidine, Pyridine and 2-Methylpyridine, J. Phys. Chem., 1958, 62, 858. [all data]

McCullough and Waddington, 1957
McCullough, J.P.; Waddington, G., Melting-point purity determinations: limitations as evidenced by calorimetric studies in the melting region, Anal. Chim. Acta, 1957, 17, 80. [all data]

Anonymous, 1956
Anonymous, R., , Physical Properties of Chemical Substances, Dow Chemical Company, 1956. [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]

Cheng, McCoubrey, et al., 1962
Cheng, D.C.H.; McCoubrey, J.C.; Phillips, D.G., Critical Temperatures of Some Organic Cyclic Compounds, Trans. Faraday Soc., 1962, 58, 224. [all data]

Glaser and Ruland, 1957
Glaser, F.; Ruland, H., Untersuchungsen über dampfdruckkurven und kritische daten einiger technisch wichtiger organischer substanzen, Chem. Ing. Techn., 1957, 29, 772. [all data]

Kimizuka and Szydlowski, 1992
Kimizuka, Wieslawa; Szydlowski, Jerzy, Vapor pressure isotope effect of n-deuterated pyrrole, Fluid Phase Equilibria, 1992, 77, 261-267, https://doi.org/10.1016/0378-3812(92)85107-J . [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, 1968
Osborn, Ann G.; Douslin, Donald R., Vapor pressure relations of 13 nitrogen compounds related to petroleum, J. Chem. Eng. Data, 1968, 13, 4, 534-537, https://doi.org/10.1021/je60039a024 . [all data]

Scott, Berg, et al., 1967, 2
Scott, D.W.; Berg, W.T.; Hossenlopp, I.A.; Hubbard, W.N.; Messerly, J.F.; Todd, S.S.; Douslin, D.R.; McCullough, J.P.; Waddington, G., Pyrrole: Chemical thermodynamic properties, J. Phys. Chem., 1967, 71, 2263-2270. [all data]

Eon, Pommier, et al., 1971
Eon, C.; Pommier, C.; Guiochon, G., Vapor pressures and second virial coefficients of some five-membered heterocyclic derivatives, J. Chem. Eng. Data, 1971, 16, 4, 408-410, https://doi.org/10.1021/je60051a008 . [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]

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]


Notes

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