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Benzene, 1-methyl-2,4-dinitro-

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein 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
Tfus341.KN/AHwang, Tamura, et al., 1990Uncertainty assigned by TRC = 0.1 K; TRC
Tfus344.3KN/ALenchitz and Velicky, 1970Uncertainty assigned by TRC = 0.5 K; TRC
Tfus345.KN/ADavid, 1964Uncertainty assigned by TRC = 1. K; TRC
Tfus343.KN/ASorum and Durand, 1952Uncertainty assigned by TRC = 1.5 K; TRC
Tfus340.KN/ATammann, 1913Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltasub99.6 ± 2.5kJ/molN/APedley and Rylance, 1977See also Lenchitz and Velicky, 1970.; AC
Deltasub100. ± 1.kJ/molVLenchitz, Velicky, et al., 1971ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
76.9359.AStephenson and Malanowski, 1987Based on data from 344. - 572. K.; AC
58.2488.N/AStephenson and Malanowski, 1987Based on data from 473. - 572. K. See also Maksimov, 1968 and Kkykj and Repas, 1973.; AC
70.2354. - 439.N/APella, 1977See also Molard, 1958.; 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
473. - 572.3.664861695.68-131.199Maksimov, 1968, 2Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
94.7 ± 2.3270. - 315.MEFreedman, Kebabian, et al., 2008AC
98.3 ± 2.5337.MEPedley and Rylance, 1977Based on data from 332. - 342. K. See also Lenchitz and Velicky, 1970.; AC
95.8 ± 1.3310.GSPella, 1976Based on data from 277. - 344. K. See also Pella, 1977.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
20.12343.3Acree, 1991AC
20.900345.David, 1964, 2Temperature not measured.; DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
61.345.David, 1964, 2Temperature; DH

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.

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

Lenchitz and Velicky, 1970
Lenchitz, Charles; Velicky, Rodolf W., Vapor pressure and heat of sublimation of three nitrotoluenes, J. Chem. Eng. Data, 1970, 15, 3, 401-403, https://doi.org/10.1021/je60046a022 . [all data]

David, 1964
David, D.J., Determination of specific heats and heats of fusion by differential thermal analysis (d.t.a.) study of theory and operating parameters, Anal. Chem., 1964, 36, 2162. [all data]

Sorum and Durand, 1952
Sorum, C.H.; Durand, E.A., The Melting of Binary Eutectics, J. Am. Chem. Soc., 1952, 74, 1071. [all data]

Tammann, 1913
Tammann, G., Nachr. Ges. Wiss. Goettingen, Math.-Phys. Kl., 1913, 1913, 335. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., , Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]

Lenchitz, Velicky, et al., 1971
Lenchitz, C.; Velicky, R.W.; Silvestro, G.; Schlosberg, L.P., Thermodynamic properties of several nitrotoluenes, J. Chem. Thermodyn., 1971, 3, 689-692. [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]

Maksimov, 1968
Maksimov, Y.Y., Russ. J. Phys. Chem., 1968, 42, 11, 1550. [all data]

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

Pella, 1977
Pella, Peter A., Measurement of the vapor pressures of tnt, 2,4-dnt, 2,6-dnt, and egdn, The Journal of Chemical Thermodynamics, 1977, 9, 4, 301-305, https://doi.org/10.1016/0021-9614(77)90049-0 . [all data]

Molard, 1958
Molard, L., Mem. Poudres, 1958, 40, 13. [all data]

Maksimov, 1968, 2
Maksimov, Yu, Steam Pressures of Nitroaromatic Compouds at Different Temperatures, Zh. Fiz. Khim., 1968, 42, 2921-2925. [all data]

Freedman, Kebabian, et al., 2008
Freedman, Andrew; Kebabian, Paul L.; Li, Ziman; Robinson, Wade A.; Wormhoudt, Joda C., Apparatus for determination of vapor pressures at ambient temperatures employing a Knudsen effusion cell and quartz crystal microbalance, Meas. Sci. Technol., 2008, 19, 12, 125102, https://doi.org/10.1088/0957-0233/19/12/125102 . [all data]

Pella, 1976
Pella, Peter A., Generator for producing trace vapor concentrations of 2,4,6-trinitrotoluene, 2,4-dinitrotoluene, and ethylene glycol dinitrate for calibrating explosives vapor detectors, Anal. Chem., 1976, 48, 11, 1632-1637, https://doi.org/10.1021/ac50005a054 . [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]

David, 1964, 2
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]


Notes

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