p-Cresol

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Gas phase thermochemistry data

Go To: Top, Condensed 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-125.3 ± 1.5kJ/molCcbCox, 1961ALS
Δfgas-125.4 ± 1.5kJ/molCcbAndon, Biddiscombe, et al., 1960ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
39.1150.Kudchadker S.A., 1978Selected entropies and heat capacities are in close agreement with statistical values calculated by [ Green J.H.S., 1962] except for S(298.15 K). This value is 3.1 J/mol*K greater than the calculated by [ Green J.H.S., 1962].; GT
51.31100.
68.39150.
86.75200.
115.15273.15
124.97298.15
125.69300.
162.77400.
194.02500.
219.28600.
239.77700.
256.68800.
270.84900.
282.841000.
293.081100.
301.871200.
309.451300.
316.001400.
321.691500.

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
Δfliquid-193.kJ/molCcbPushin, 1954Author's hf298_condensed=-48.3 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-3705.kJ/molCcbPushin, 1954Author's hf298_condensed=-48.3 kcal/mol; Corresponding Δfliquid = -193. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
Δfsolid-199.2kJ/molCcbCox, 1961ALS
Δfsolid-199.3 ± 1.5kJ/molCcbAndon, Biddiscombe, et al., 1960ALS
Quantity Value Units Method Reference Comment
Δcsolid-3698.7 ± 0.3kJ/molCcbCox, 1961Corresponding Δfsolid = -199.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-3698.6 ± 0.67kJ/molCcbAndon, Biddiscombe, et al., 1960Corresponding Δfsolid = -199.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-3703.kJ/molCcbBarker, 1925Author was aware that data differs from previously reported values; Corresponding Δfsolid = -195. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar167.32J/mol*KN/AAndon, Counsell, et al., 1967DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
163.5298.15Meva'a and Lichanot, 1990T = 173 to 353 K. Cp(c) = 145.401 + 0.616T + 3.728x10-3T2 + 2.145x10-5T3 J/mol*K (-100 to 22 C). Cp(liq) = 232.122 + 0.178T J/mol*K (40 to 80 C).; DH
221.03298.15Nichols and Wads, 1975DH
150.25298.15Andon, Counsell, et al., 1967T = 10 to 400 K.; DH
226.2313.Rastorguev and Ganiev, 1967T = 313 to 373 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil475.0 ± 0.9KAVGN/AAverage of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus307. ± 2.KAVGN/AAverage of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple307.94KN/AAndon, Counsell, et al., 1967, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc704.6KN/ADelaunois, 1968Uncertainty assigned by TRC = 0.4 K; TRC
Tc704.55KN/AAmbrose, 1963Uncertainty assigned by TRC = 0.3 K; TRC
Tc699.KN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 3. K; TRC
Tc699.2KN/ARadice, 1899Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Pc40.70barN/ADelaunois, 1968Uncertainty assigned by TRC = 0.5884 bar; TRC
Pc45.5963barN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 3.0398 bar; TRC
Pc51.4731barN/AHerz and Neukirch, 1923Uncertainty assigned by TRC = 0.8106 bar; TRC
Quantity Value Units Method Reference Comment
Δvap46.61kJ/molCGlaser and Ruland, 1957ALS
Quantity Value Units Method Reference Comment
Δsub73.1 ± 0.6kJ/molCRichard, Bernardes, et al., 2007AC
Δsub73.9kJ/molN/ACox, 1961DRB
Δsub73.9 ± 1.5kJ/molVAndon, Biddiscombe, et al., 1960ALS
Δsub73.9kJ/molN/AAndon, Biddiscombe, et al., 1960DRB

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
62.0323.AStephenson and Malanowski, 1987Based on data from 308. to 393. K.; AC
55.4400.AStephenson and Malanowski, 1987Based on data from 385. to 477. K.; AC
49.2478.AStephenson and Malanowski, 1987Based on data from 463. to 533. K.; AC
46.0538.AStephenson and Malanowski, 1987Based on data from 523. to 635. K.; AC
55.6398.A,GS,EBStephenson and Malanowski, 1987Based on data from 383. to 473. K. See also Andon, Biddiscombe, et al., 1960, 2 and Kkykj and Repas, 1973.; AC
51.3446.N/AGoldblum, Martin, et al., 1947Based on data from 419. to 474. K.; AC

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
401.20 to 475.034.140931498.579-112.6Dreisbach and Shrader, 1949Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Reference Comment
73.9 ± 1.5290.Andon, Biddiscombe, et al., 1960, 2Based on data from 273. to 307. K. See also Cox and Pilcher, 1970.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
11.800307.35N/AMeva'a and Lichanot, 1990DH
11.887309.0N/APoeti, Fanelli, et al., 1982DH
12.707307.94N/AAndon, Counsell, et al., 1967DH
12.6308.8DSCRichard, Bernardes, et al., 2007AC
8.58307.6DSCJamróz, Palczewska-Tulinska, et al., 1998AC
12.72307.9N/ADomalski and Hearing, 1996AC
11.8307.4N/AMeva'a and Lichanot, 1990AC
12.247309.N/AEykman, 1889DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
38.307.35Meva'a and Lichanot, 1990DH
38.47309.0Poeti, Fanelli, et al., 1982DH
41.26307.94Andon, Counsell, et al., 1967DH
39.6309.Eykman, 1889DH

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.

Cox, 1961
Cox, J.D., The heats of combustion of phenol and the three cresols, Pure Appl. Chem., 1961, 2, 125-128. [all data]

Andon, Biddiscombe, et al., 1960
Andon, R.J.L.; Biddiscombe, D.P.; Cox, J.D.; Handley, R.; Harrop, D.; Herington, E.F.G.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part I. Preparation and physical properties of pure phenol, cresols, and xylenols, J. Chem. Soc., 1960, 5246-5254. [all data]

Kudchadker S.A., 1978
Kudchadker S.A., Ideal gas thermodynamic properties of phenol and cresols, J. Phys. Chem. Ref. Data, 1978, 7, 417-423. [all data]

Green J.H.S., 1962
Green J.H.S., Normal frequencies, thermodynamic properties and equilibrium of the cresols, Chem. Ind. (London), 1962, 1575-1576. [all data]

Pushin, 1954
Pushin, N.A., Heats of combustion and heats of formation of isomeric organic compounds, Bull. Soc. Chim. Belgrade, 1954, 19, 531-547. [all data]

Barker, 1925
Barker, M.F., Calorific value and constitution, J. Phys. Chem., 1925, 29, 1345-1363. [all data]

Andon, Counsell, et al., 1967
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F.; Mash, C.J., Thermodynamic properties of organic oxygen compounds. Part 17. Low-temperature heat capacity and entropy of the cresols, Trans. Faraday Soc., 1967, 63, 1115-1121. [all data]

Meva'a and Lichanot, 1990
Meva'a, L.M.; Lichanot, A., Proprietes thermodynamiques en phase condensee des ortho, meta et para fluorotoluene, cresol et toluidine, Thermochim. Acta, 1990, 158, 335-345. [all data]

Nichols and Wads, 1975
Nichols, N.; Wads, I., Thermochemistry of solutions of biochemical model compounds. 3. Some benzene derivatives in aqueous solution, J. Chem. Thermodynam., 1975, 7, 329-336. [all data]

Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A., Study of the heat capacity of selected solvents, Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]

Andon, Counsell, et al., 1967, 2
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F.; Mash, C.J., Thermodynamic Properties of Organic Oxygen Compounds Part 17. Low- temperature Heat Capacity and Entropy of the Cresols, Trans. Faraday Soc., 1967, 63, 1115. [all data]

Delaunois, 1968
Delaunois, C., Effect of the Filling Rate of a Reactor on the Vapor Tension and the Temperature at the Beginning of Cracking of Phenols at High Pressures, Ann. Mines Belg., 1968, No. 1, 9-16. [all data]

Ambrose, 1963
Ambrose, D., Critical Temperatures of Some Phenols and Other Organic Compounds, Trans. Faraday Soc., 1963, 59, 1988. [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]

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

Herz and Neukirch, 1923
Herz, W.; Neukirch, E., On Knowldge of the Critical State, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1923, 104, 433-50. [all data]

Richard, Bernardes, et al., 2007
Richard, Laurence S.; Bernardes, Carlos E.S.; Diogo, Hermínio P.; Leal, João P.; Minas da Piedade, Manuel E., Energetics of Cresols and of Methylphenoxyl Radicals, J. Phys. Chem. A, 2007, 111, 35, 8741-8748, https://doi.org/10.1021/jp073515m . [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]

Andon, Biddiscombe, et al., 1960, 2
Andon, R.J.L.; Biddiscombe, D.P.; Cox, J.D.; Handley, R.; Harrop, D.; Herington, E.F.G.; Martin, J.F., 1009. Thermodynamic properties of organic oxygen compounds. Part I. Preparation and physical properties of pure phenol, cresols, and xylenols, J. Chem. Soc., 1960, 5246, https://doi.org/10.1039/jr9600005246 . [all data]

Kkykj and Repas, 1973
Kkykj, J.; Repas, M., Petrochemia, 1973, 13, 179. [all data]

Goldblum, Martin, et al., 1947
Goldblum, K.B.; Martin, R.W.; Young, R.B., Vapor Pressure Data for Phenols, Ind. Eng. Chem., 1947, 39, 11, 1474-1476, https://doi.org/10.1021/ie50455a017 . [all data]

Dreisbach and Shrader, 1949
Dreisbach, R.R.; Shrader, S.A., Vapor Pressure--Temperature Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 12, 2879-2880, https://doi.org/10.1021/ie50480a054 . [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]

Poeti, Fanelli, et al., 1982
Poeti, G.; Fanelli, E.; Braghetti, M., A differential scanning calorimetric study of some phenol derivatives, J. Therm. Anal., 1982, 24(2), 273-279. [all data]

Jamróz, Palczewska-Tulinska, et al., 1998
Jamróz, Malgorzata E.; Palczewska-Tulinska, Marcela; Wyrzykowska-Stankiewicz, Danuta; Szafranski, Andrzej M.; Polaczek, Jerzy; Dobrowolski, Jan Cz.; Jamróz, Michal H.; Mazurek, Aleksander P., The urea--phenol(s) systems, Fluid Phase Equilibria, 1998, 152, 2, 307-326, https://doi.org/10.1016/S0378-3812(98)90206-0 . [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]

Eykman, 1889
Eykman, J.F., Zur kryoskopischen Molekulargewichtsbestimmung, Z. Physik. Chem., 1889, 4, 497-519. [all data]


Notes

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