Pyridine, 4-methyl-

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Gas phase thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas103.8 ± 0.92kJ/molCcbGood, 1972ALS
Δfgas102.13 ± 0.63kJ/molCmAndon, Cox, et al., 1957ALS
Δfgas102.2 ± 0.63kJ/molCcbCox, Challoner, et al., 1954ALS
Δfgas92.7kJ/molN/AConstam and White, 1903Value computed using ΔfHliquid° value of 48.1 kj/mol from Constam and White, 1903 and ΔvapH° value of 44.6 kj/mol from Good, 1972.; DRB

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes

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:
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
Δfliquid59.20 ± 0.88kJ/molCcbGood, 1972ALS
Δfliquid56.78 ± 0.63kJ/molCcbCox, Challoner, et al., 1954ALS
Δfliquid48.07kJ/molCcbConstam and White, 1903ALS
Quantity Value Units Method Reference Comment
Δcliquid-3420.7 ± 0.84kJ/molCcbGood, 1972ALS
Δcliquid-3418.3 ± 0.63kJ/molCcbCox, Challoner, et al., 1954ALS
Δcliquid-3417.kJ/molCcbConstam and White, 1903ALS
Quantity Value Units Method Reference Comment
liquid209.091J/mol*KN/AMesserly, Todd, et al., 1988DH
liquid208.22J/mol*KN/AMesserly, Todd, et al., 1987DH
liquid208.22J/mol*KN/ASteele, Chirico, et al., 1986DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
158.988298.150Messerly, Todd, et al., 1988T = 10 to 400 K.; DH
158.99298.15Messerly, Todd, et al., 1987T = 10 to 410 K.; DH
158.99298.15Steele, Chirico, et al., 1986T = 10 to 410 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes

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.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil418. ± 1.KAVGN/AAverage of 18 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus276.8 ± 0.8KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple276.800KN/AMesserly, Todd, et al., 1988, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; TRC
Ttriple276.810KN/AMesserly, Todd, et al., 1988, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple276.8KN/ASoulard, Fillaux, et al., 1986Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; phases identified by Raman spectrum; TRC
Quantity Value Units Method Reference Comment
Tc646.KN/AMajer and Svoboda, 1985 
Tc646.3KN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.5 K; TRC
Tc645.65KN/AAmbrose and Grant, 1957Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Pc46.60barN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.5066 bar; TRC
Quantity Value Units Method Reference Comment
ρc3.07mol/lN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.21 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap44.9 ± 0.5kJ/molAVGN/AAverage of 9 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
37.51418.5N/AMajer and Svoboda, 1985 
43.4 ± 0.1320.EBChirico, Knipmeyer, et al., 1999Based on data from 328. to 459. K.; AC
41.1 ± 0.1360.EBChirico, Knipmeyer, et al., 1999Based on data from 328. to 459. K.; AC
38.8 ± 0.1400.EBChirico, Knipmeyer, et al., 1999Based on data from 328. to 459. K.; AC
36.2 ± 0.2440.EBChirico, Knipmeyer, et al., 1999Based on data from 328. to 459. K.; AC
41.4363.AStephenson and Malanowski, 1987Based on data from 348. to 460. K.; AC
42.1347.AStephenson and Malanowski, 1987Based on data from 348. to 347. K.; AC
40.0396.AStephenson and Malanowski, 1987Based on data from 381. to 460. K.; AC
37.9467.AStephenson and Malanowski, 1987Based on data from 452. to 573. K.; AC
37.2579.AStephenson and Malanowski, 1987Based on data from 564. to 646. K.; AC
41.4363.EB,IPStephenson and Malanowski, 1987Based on data from 348. to 459. K. See also Osborn and Douslin, 1968.; AC
43.9 ± 0.1313.CMajer, Svoboda, et al., 1984AC
42.9 ± 0.1328.CMajer, Svoboda, et al., 1984AC
42.1 ± 0.1343.CMajer, Svoboda, et al., 1984AC
41.3365.MGHerington and Martin, 1953Based on data from 350. to 418. K.; AC

Enthalpy of vaporization

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

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Temperature (K) 298. to 434.
A (kJ/mol) 64.1
α 0.5241
β 0.1879
Tc (K) 646.
ReferenceMajer and Svoboda, 1985

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
348.20 to 459.074.16981482.84-62.407Osborn and Douslin, 1968 
350.06 to 418.614.172381484.484-62.229Herington and Martin, 1953, 2Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
62.7226.AStephenson and Malanowski, 1987Based on data from 213. to 239. K.; AC

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
255.010crystaline, IIcrystaline, ISteele, Chirico, et al., 1986DH
276.818crystaline, IliquidSteele, Chirico, et al., 1986DH

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.00255.00crystaline, IIcrystaline, IMesserly, Todd, et al., 1988DH
12.58228276.818crystaline, IliquidMesserly, Todd, et al., 1988DH
0.000083255.010crystaline, IIcrystaline, IMesserly, Todd, et al., 1987DH
12.577276.817crystaline, IliquidMesserly, Todd, et al., 1987DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
45.45276.818crystaline, IliquidMesserly, Todd, et al., 1988DH
45.43276.817crystaline, IliquidMesserly, Todd, et al., 1987DH

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Good, 1972
Good, W.D., Enthalpies of combustion of nine organic nitrogen compounds related to petroleum, J. Chem. Eng. Data, 1972, 17, 28-31. [all data]

Andon, Cox, et al., 1957
Andon, R.J.L.; Cox, J.D.; Herington, E.F.G.; Martin, J.F., The second virial coefficients of pyridine and benzene, and certain of their methyl homologues, Trans. Faraday Soc., 1957, 53, 1074. [all data]

Cox, Challoner, et al., 1954
Cox, J.D.; Challoner, A.R.; Meetham, A.R., The heats of combustion of pyridine and certain of its derivatives, J. Chem. Soc., 1954, 265-271. [all data]

Constam and White, 1903
Constam, E.J.; White, J., Physico-chemical investigations in the pyridine series, Am. Chem. J., 1903, 29, 1-49. [all data]

Messerly, Todd, et al., 1988
Messerly, J.F.; Todd, S.S.; Finke, H.L.; Good, W.D.; Gammon, B.E., Condensed-phase heat-capacity studies and derived thermodynamic properties for six cyclic nitrogen compounds, J. Chem. Thermodynam., 1988, 20, 209-224. [all data]

Messerly, Todd, et al., 1987
Messerly, J.F.; Todd, S.S.; Finke, H.L.; Gammon, B.E., Thermodynamic properties of organic nitrogen compounds that occur in shale oil and heavy petroleum-topical report, NIPER Report, 1987, 83, 37p. [all data]

Steele, Chirico, et al., 1986
Steele, W.V.; Chirico, R.D.; Collier, W.B.; Hossenlopp, I.A.; Nguyen, A.; Strube, M.M., Thermochemical and thermophysical properties of organic nitrogen compounds found in fossil materials, NIPER Report, 1986, 188, 112p. [all data]

Messerly, Todd, et al., 1988, 2
Messerly, J.F.; Todd, s.S.; Finke, H.L.; Good, W.D.; Gammon, B.E., Condensed-phase heat-capacity studies and derived thermodynamic properties for six cyclic nitrogen compounds, J. Chem. Thermodyn., 1988, 20, 209. [all data]

Soulard, Fillaux, et al., 1986
Soulard, L.; Fillaux, F.; Braathen, G.; Le Calve, N.; Pasquier, B., Rotational Dynamics of the Methyl Group in the 4-Methyl pyridine Crystal, Chem. Phys. Lett., 1986, 125, 41. [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]

Kobe and Mathews, 1970
Kobe, K.A.; Mathews, J.F., Critical Properties and Vapor Pressures of Some Organic Nitrogen and Oxygen Compounds, J. Chem. Eng. Data, 1970, 15, 182. [all data]

Ambrose and Grant, 1957
Ambrose, D.; Grant, D.G., The Critical Temperatures of Some Hydrocarbons and Pyridine Bases, Trans. Faraday Soc., 1957, 53, 771. [all data]

Chirico, Knipmeyer, et al., 1999
Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Steele, W.V., Thermodynamic properties of the methylpyridines. Part 2. Vapor pressures, heat capacities, critical properties, derived thermodynamic functions between the temperatures 250 K and 560 K, and equilibrium isomer distributions for all temperatures ≥250 K, The Journal of Chemical Thermodynamics, 1999, 31, 3, 339-378, https://doi.org/10.1006/jcht.1998.0451 . [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]

Majer, Svoboda, et al., 1984
Majer, V.; Svoboda, V.; Lencka, M., Enthalpies of vaporization and cohesive energies of pyridine and isomeric methylpyridines, J. Chem. Thermodyn., 1984, 16, 1019-1024. [all data]

Herington and Martin, 1953
Herington, E.F.G.; Martin, J.F., Vapour pressures of pyridine and its homologues, Trans. Faraday Soc., 1953, 49, 154, https://doi.org/10.1039/tf9534900154 . [all data]

Herington and Martin, 1953, 2
Herington, E.F.G.; Martin, J.F., Vapour Pressures of Pyridine and its Homologues, Trans. Faraday Soc., 1953, 49, 154-162, https://doi.org/10.1039/tf9534900154 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References