Phenol, 2,4-dichloro-

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-156.3 ± 1.9kJ/molCcrRibeiro Da Silva, Ferrao, et al., 1994HCl (1:600 H2O)

Condensed 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfsolid-226.4 ± 1.5kJ/molCcrRibeiro Da Silva, Ferrao, et al., 1994HCl (1:600 H2O)
Quantity Value Units Method Reference Comment
Δcsolid-2753.7 ± 1.3kJ/molCcrRibeiro Da Silva, Ferrao, et al., 1994HCl (1:600 H2O)

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

Quantity Value Units Method Reference Comment
Tboil483.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus318.0KN/APoeti, Faneli, et al., 1982Uncertainty assigned by TRC = 0.2 K; TRC
Tfus323.KN/AVorob'ev, Borisov, et al., 1981Uncertainty assigned by TRC = 2. K; TRC
Tfus318.KN/Avan de Lande, 1932Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Δvap59.0 ± 0.4kJ/molGSVerevkin, Emel'yanenko, et al., 2007Based on data from 317. to 344. K.; AC
Δvap58.1 ± 0.3kJ/molN/AMokbel, Pauchon, et al., 1995Based on data from 323. to 443. K. See also Verevkin, Emel'yanenko, et al., 2007.; AC
Quantity Value Units Method Reference Comment
Δsub78.0 ± 0.3kJ/molGSVerevkin, Emel'yanenko, et al., 2007Based on data from 278. to 315. K.; AC
Δsub70.1 ± 1.1kJ/molCRibeiro Da Silva, Ferrao, et al., 1994HCl (1:600 H2O); ALS
Δsub70.1 ± 1.1kJ/molCda Silva, 1994AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
56.6331.GSVerevkin, Emel'yanenko, et al., 2007Based on data from 317. to 344. K.; AC
52.3383.N/AMokbel, Pauchon, et al., 1995Based on data from 323. to 443. K. See also Verevkin, Emel'yanenko, et al., 2007.; AC
60.8341.AStephenson and Malanowski, 1987Based on data from 326. to 483. K. See also Stull, 1947 and Arro, Melder, et al., 1975.; AC
36.780491.N/AVorob'ev, Borisov, et al., 1981DH

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
74.9491.Vorob'ev, Borisov, et al., 1981DH

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
326. to 483.5.267242330.829-39.935Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
20.090318.0Poeti, Fanelli, et al., 1982DH
20.09318.Domalski and Hearing, 1996AC
28.410323.Vorob'ev, Borisov, et al., 1981DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
63.18318.0Poeti, Fanelli, et al., 1982DH
88.0323.Vorob'ev, Borisov, et al., 1981DH

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:


IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Notes

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

Ribeiro Da Silva, Ferrao, et al., 1994
Ribeiro Da Silva, M.A.V.; Ferrao, M.L.C.C.H.; Jiye, F., Standard enthalpies of combustion of the six dichlorophenols by rotating-bomb calorimetry, J. Chem. Thermodyn., 1994, 26, 839-846. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Poeti, Faneli, et al., 1982
Poeti, G.; Faneli, E.; Braghetti, M.J., A differential scanning calorimetric study of some phenol derivatives, Therm. Anal., 1982, 24, 2, 273, https://doi.org/10.1007/BF01913681 . [all data]

Vorob'ev, Borisov, et al., 1981
Vorob'ev, G.I.; Borisov, N.N.; Novikova, G.A.; Efimova, V.L., Physicochemical properties of 2,4-dichloro-1-(4-nitrophenoxy)benzene, Khim. Prom. (Moscow), 1981, (12), 728. [all data]

van de Lande, 1932
van de Lande, L.M.F., The Action of Sodium Methylate on SOme Derivatives of m-Dichlorobenzene, Recl. Trav. Chim. Pays-Bas, 1932, 51, 98-113. [all data]

Verevkin, Emel'yanenko, et al., 2007
Verevkin, Sergey P.; Emel'yanenko, Vladimir N.; Klamt, Andreas, Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions, J. Chem. Eng. Data, 2007, 52, 2, 499-510, https://doi.org/10.1021/je060429r . [all data]

Mokbel, Pauchon, et al., 1995
Mokbel, I.; Pauchon, V.; Jose, J., Vapor pressures and sublimation pressures of 2,4-dichlorophenol, 2,6-dichlorophenol, and 2,4,6-trichlorophenol, ELDATA: Int. Electron. J. Phys. Chem. Data, 1995, 1, 1, 53. [all data]

da Silva, 1994
da Silva, M., Standard enthalpies of combustion of the six dichlorophenols by rotating-bomb calorimetry, The Journal of Chemical Thermodynamics, 1994, 26, 8, 839-846, https://doi.org/10.1006/jcht.1994.1100 . [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]

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]

Arro, Melder, et al., 1975
Arro, J.; Melder, L.; Tamvelius, H., Trudy Tallinskogo Politekhnicheskogo Instit., 1975, 390, 37. [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]

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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