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Pyrrolidine

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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
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
Tboil360. ± 3.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus211.95KN/ABoord, Greenlee, et al., 1950Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple215.31KN/AHildenbrand, Sinke, et al., 1959Crystal phase 1 phase; Uncertainty assigned by TRC = 0.07 K; TRC
Ttriple215.240KN/AMcCullough, Douslin, et al., 1959Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; by extrapolation of 1/F to 0; TRC
Ttriple215.31KN/AMcCullough, Douslin, et al., 1959Crystal phase 1 phase; Uncertainty assigned by TRC = 0.06 K; TRC
Ttriple215.3KN/AHelm, Lanum, et al., 1958Uncertainty assigned by TRC = 0.03 K; measured in calorimeter at USBM, Bartlesville, OK; TRC
Quantity Value Units Method Reference Comment
Tc568.6KN/AMajer and Svoboda, 1985 
Tc568.6KN/ACheng, McCoubrey, et al., 1962Uncertainty assigned by TRC = 0.4 K; TRC
Tc570.KN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 2.5 K; TRC
Quantity Value Units Method Reference Comment
Pc56.25atmN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 1.020 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.249l/molN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.005 l/mol; TRC
Quantity Value Units Method Reference Comment
Deltavap8.967kcal/molN/AMajer and Svoboda, 1985 
Deltavap8.990 ± 0.025kcal/molVHildenbrand, Sinke, et al., 1959, 2ALS
Deltavap8.99kcal/molN/AHildenbrand, Sinke, et al., 1959, 2DRB
Deltavap8.980 ± 0.015kcal/molVMcCullough, Douslin, et al., 1959, 2ALS
Deltavap8.99kcal/molN/AMcCullough, Douslin, et al., 1959, 2DRB

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.890359.7N/AMajer and Svoboda, 1985 
9.18288.AStephenson and Malanowski, 1987Based on data from 273. - 313. K.; AC
8.56331.EB,IPStephenson and Malanowski, 1987Based on data from 316. - 394. K. See also McCullough, Douslin, et al., 1959, 2 and Osborn and Douslin, 1968.; AC
8.91309.N/AHildenbrand, Sinke, et al., 1959Based on data from 294. - 360. K. See also Boublik, Fried, et al., 1984.; AC
8.56 ± 0.02322.CMcCullough, Douslin, et al., 1959, 2AC
8.25 ± 0.02340.CMcCullough, Douslin, et al., 1959, 2AC
7.89 ± 0.02360.CMcCullough, Douslin, et al., 1959, 2AC

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
322. - 360.13.810.3426568.6Majer 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
316.31 - 394.14.043821180.043-67.895McCullough, Douslin, et al., 1959, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.05215.3Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
0.624207.1Domalski and Hearing, 1996CAL
9.522215.3

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.127207.14crystaline, IIcrystaline, IHildenbrand, Sinke, et al., 1959, 2DH
2.053215.31crystaline, IliquidHildenbrand, Sinke, et al., 1959, 2DH
0.1291207.14crystaline, IIcrystaline, IMcCullough, Douslin, et al., 1959, 2DH
2.050215.31crystaline, IliquidMcCullough, Douslin, et al., 1959, 2DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.612207.14crystaline, IIcrystaline, IHildenbrand, Sinke, et al., 1959, 2DH
9.536215.31crystaline, IliquidHildenbrand, Sinke, et al., 1959, 2DH
0.624207.14crystaline, IIcrystaline, IMcCullough, Douslin, et al., 1959, 2DH
9.522215.31crystaline, IliquidMcCullough, Douslin, et al., 1959, 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.

Boord, Greenlee, et al., 1950
Boord, C.E.; Greenlee, K.W.; Derfer, J.M., The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Wt., Am. Pet. Inst. Res. Proj. 45, Twelfth Annu. Rep., Ohio State Univ., 1950. [all data]

Hildenbrand, Sinke, et al., 1959
Hildenbrand, D.L.; Sinke, G.C.; McDonald, R.A.; Kramer, W.R.; Stull, D.R., Thermodynamic and Spectroscopic Study of Pyrrolidine. I. Thermodynamic Properties in the Solid, Liquid, and Vapor States, J. Chem. Phys., 1959, 31, 3, 650, https://doi.org/10.1063/1.1730441 . [all data]

McCullough, Douslin, et al., 1959
McCullough, J.P.; Douslin, D.R.; Hubbard, W.N.; Todd, S.S.; Messerly, J.F.; Hossenlopp, I.A.; Frow, F.R.; Dawson, J.P.; Waddington, G., Pyrrolidine: Chemical Thermodynamic Properties Between 0 and 1500 K; Effect of Pseudorotation; and an Unusual Thermal Anomaly in the Liquid State, J. Am. Chem. Soc., 1959, 81, 5884-90. [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]

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]

Kobe, Ravicz, et al., 1956
Kobe, K.A.; Ravicz, A.E.; Vohra, S.P., Critical Properties and Vapor Pressures of Some Ethers and Heterocyclic Compounds, J. Chem. Eng. Data, 1956, 1, 50. [all data]

Hildenbrand, Sinke, et al., 1959, 2
Hildenbrand, D.L.; Sinke, G.C.; McDonald, R.A.; Kramer, W.R.; Stull, D.R., Thermodynamic and spectroscopic study of pyrrolidine. I. Thermodynamic properties in the solid, liquid, and vapor states, J. Chem. Phys., 1959, 31, 650-654. [all data]

McCullough, Douslin, et al., 1959, 2
McCullough, J.P.; Douslin, D.R.; Hubbard, W.N.; Todd, S.S.; Messerly, J.F.; Hossenlopp, I.A.; Frow, F.R.; Dawson, J.P.; Waddington, G., Pyrrolidine: Chemical thermodynamic properties between 0 and 1500°K; effect of pseudorotation; and an unusual thermal anomaly in the liquid state, J. Am. Chem. Soc., 1959, 81, 5884-5890. [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]

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]

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

Go To: Top, Phase change data, References