Benzene, 1,4-dinitro-

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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 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
Δfsolid-38. ± 0.4kJ/molCcbLebedeva, Ryadnenko, et al., 1971Hfusion=8.0±0.3, see Lebedeva, Rjadnenko, et al., 1969; ALS
Quantity Value Units Method Reference Comment
Δcsolid-2894. ± 0.4kJ/molCcbLebedeva, Ryadnenko, et al., 1971Hfusion=8.0±0.3, see Lebedeva, Rjadnenko, et al., 1969; ALS
Δcsolid-2902.kJ/molCcbGarner and Abernethy, 1921ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
167.325.David, 1964T = 298 to 373 K. Mean value. T = uncertain.; DH
200.0298.15Ueberreiter and Orthmann, 1950T = 293 to 368 K. Equation only.; DH
192.0298.Andrews, Lynn, et al., 1926T = 22 to 210°C.; DH

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
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
Tfus444.2KN/AHwang, Tamura, et al., 1990Uncertainty assigned by TRC = 0.1 K; TRC
Tfus446.65KN/ABooss and Hauschildt, 1972Uncertainty assigned by TRC = 0.2 K; TRC
Tfus446.7KN/AAndrews, Lynn, et al., 1926, 2Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Δsub94.3 ± 0.7kJ/molN/AVerevkin, 1997AC
Δsub96.2 ± 2.5kJ/molTEFerro, Piacente, et al., 1976Based on data from 339. to 398. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
456.20.045Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
60.3460.AStephenson and Malanowski, 1987Based on data from 445. to 572. K. See also Dykyj, 1972.; 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
525. to 564.71.21449167.313-429.356Maksimov, 1968Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
89. ± 1.343.VWolf and Weghofer, 1938ALS
89.1 ± 1.7343.N/ATrieschmann, 1935Based on data from 345. to 368. K. See also Wolf and Weghofer, 1938, 2 and Jones, 1960.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
17.58446.Musuc, Razus, et al., 2002AC
28.12446.7Acree, 1991AC
28.100446.65Booss and Hauschildt, 1972DH
28.120446.7Andrews, Lynn, et al., 1926DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
62.9446.65Booss and Hauschildt, 1972DH
62.9446.7Andrews, Lynn, et al., 1926DH

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, 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.

Lebedeva, Ryadnenko, et al., 1971
Lebedeva, N.D.; Ryadnenko, V.L.; Kuznetsova, I.N., Heats of combustion and enthalpies of formation of certain aromatic nitro-derivatives, Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 549. [all data]

Lebedeva, Rjadnenko, et al., 1969
Lebedeva, N.D.; Rjadnenko, B.L.; Gutner, N.M., Heats of formation of some N-containing organic compounds, Int. Conf. Calorim. Therm. (Warsaw, Poland), 1969, 1-8. [all data]

Garner and Abernethy, 1921
Garner, W.E.; Abernethy, C.L., Heats of combustion and formation of nitro-compounds. Part I. - Benzene, toluene, phenol and methylaniline series, Proc. Roy. Soc. London A, 1921, 213-235. [all data]

David, 1964
David, D.J., Determination of specific heat and heat of fusion by differential thermal analysis. Study of theory and operating parameters, Anal. Chem., 1964, 36, 2162-2166. [all data]

Ueberreiter and Orthmann, 1950
Ueberreiter, K.; Orthmann, H.-J., Specifische Wärme, spezifisches Volumen, Temperatur- und Wärme-leittähigkeit einiger disubstituierter Benzole und polycyclischer Systeme, Z. Natursforsch. 5a, 1950, 101-108. [all data]

Andrews, Lynn, et al., 1926
Andrews, D.H.; Lynn, G.; Johnston, J., The heat capacities and heat of crystallization of some isomeric aromatic compounds, J. Am. Chem. Soc., 1926, 48, 1274-1287. [all data]

Hwang, Tamura, et al., 1990
Hwang, D.-R.; Tamura, M.; Yoshida, T.; Tanaka, N.; Hosoya, F., Estimation of ΔH°f of nitro derivatives of benzene and toluene using AM1 and DSC, J. Energ. Mater., 1990, 8, 85-98. [all data]

Booss and Hauschildt, 1972
Booss, H.J.; Hauschildt, K.R., Die Schmelzenthalpie des Benzils und 4-Nitrophenols, Z. Anal. Chem., 1972, 261(1), 32. [all data]

Andrews, Lynn, et al., 1926, 2
Andrews, D.H.; Lynn, G.; Johnston, J., The Heat Capacities and Heat of Crystallization of Some Isomeric Aromatic Compounds, J. Am. Chem. Soc., 1926, 48, 1274. [all data]

Verevkin, 1997
Verevkin, Sergey P., Thermochemistry of nitro compounds. Experimental standard enthalpies of formation and improved group-additivity values, Thermochimica Acta, 1997, 307, 1, 17-25, https://doi.org/10.1016/S0040-6031(97)00359-6 . [all data]

Ferro, Piacente, et al., 1976
Ferro, D.; Piacente, V.; Gigli, R.; D'Ascenzo, G., Determination of the vapour pressures of o-, m-, and p-dinitrobenzene by the torsion-effusion method, The Journal of Chemical Thermodynamics, 1976, 8, 12, 1137-1143, https://doi.org/10.1016/0021-9614(76)90120-8 . [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]

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]

Dykyj, 1972
Dykyj, J., Petrochemia, 1972, 12, 1, 13. [all data]

Maksimov, 1968
Maksimov, Yu, Steam Pressures of Nitroaromatic Compouds at Different Temperatures, Zh. Fiz. Khim., 1968, 42, 2921-2925. [all data]

Wolf and Weghofer, 1938
Wolf, K.L.; Weghofer, H., Uber sublimationswarmen, Z. Phys. Chem., 1938, 39, 194-208. [all data]

Trieschmann, 1935
Trieschmann, H.G., , Ph.D. Dissertation, Inst. Fur Phys. Chem. and Electrochem. der Universitat Kiel, Germany, 1935. [all data]

Wolf and Weghofer, 1938, 2
Wolf, K.L.; Weghofer, H.Z., Z. Phys. Chem. Abt. B, 1938, 39, 194. [all data]

Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]

Musuc, Razus, et al., 2002
Musuc, A.M.; Razus, D.; Oancea, D., Analele Universitatii Bucuresti Chimie, 2002, 11, 2, 147. [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]


Notes

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