Benzene, 2-methyl-1,3-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-55.2 ± 2.2kJ/molCcbBarakat and Finch, 1984see Finch and Payne, 1990; ALS
Δfsolid-41.8kJ/molCcbMedard and Thomas, 1949Author's hf298_condensed=-13.4 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcsolid-3556.8 ± 1.0kJ/molCcbBarakat and Finch, 1984see Finch and Payne, 1990; ALS
Δcsolid-3570.3kJ/molCcbMedard and Thomas, 1949Author's hf298_condensed=-13.4 kcal/mol; ALS
Δcsolid-3560.9 ± 3.6kJ/molCcbBadoche, 1939Reanalyzed by Cox and Pilcher, 1970, Original value = -3563.9 kJ/mol; ALS
Δcsolid-3574.kJ/molCcbGarner and Abernethy, 1921ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
217.305.Finch and Payne, 1990T = 305 to 365 K. Unsmoothed experimental datum.; DH
224.305.Finch and Payne, 1990T = 305 to 365 K. Unsmoothed experimental datum.; 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:
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

Quantity Value Units Method Reference Comment
Tfus329.60KN/AFinch and Payne, 1990Metastable crystal phase; Uncertainty assigned by TRC = 0.2 K; The melting point of the stable phase was observed after melting the metastable phase and cooling slowly; TRC
Tfus339.KN/AFinch and Payne, 1990Uncertainty assigned by TRC = 3. K; The melting point of the stable phase was observed after melting the metastable phase and cooling slowly; TRC
Tfus339.19KN/AFinch and Payne, 1990Uncertainty assigned by TRC = 0.1 K; TRC
Tfus327.KN/AHwang, Tamura, et al., 1990Uncertainty assigned by TRC = 0.1 K; TRC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
77.8345.AStephenson and Malanowski, 1987Based on data from 330. to 533. K.; AC
56.9438.AStephenson and Malanowski, 1987Based on data from 423. to 553. K. See also Maksimov, 1968.; AC
68.7344. to 427.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
423. to 533.1.80416551.608-269.179Maksimov, 1968, 2Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
99.6 ± 2.3275. to 325.MEFreedman, Kebabian, et al., 2008AC
98.3 ± 0.8300.GSPella, 1976Based on data from 277. to 323. K. See also Pella, 1977.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
19.280340.Finch and Payne, 1990c,form A/liq.; DH
16.070340.Finch and Payne, 1990c,form B/liq.; DH
23.85327.5Acree, 1993AC

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.

Barakat and Finch, 1984
Barakat, A.; Finch, A., Thermochemistry of 2,6-dinitrotoluene, Thermochim. Acta, 1984, 73, 205-208. [all data]

Finch and Payne, 1990
Finch, A.; Payne, J., Thermochemical study of 1,6-dinitrotoluene, Thermochim. Acta, 1990, 164, 55-63. [all data]

Medard and Thomas, 1949
Medard, L.; Thomas, M., Determinations calorimetriques concernant dix-huit derives nitres ou nitrates organiques., Mem. Poudres, 1949, 29, 173-195. [all data]

Badoche, 1939
Badoche, M.M., Determinations des chaleurs de combustion de derives nitres de la serie benzenique, Bull. Soc. Chim. France, 1939, 6, 570-579. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]

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]

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]

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, 1993
Acree, William E., Thermodynamic properties of organic compounds, Thermochimica Acta, 1993, 219, 97-104, https://doi.org/10.1016/0040-6031(93)80486-T . [all data]


Notes

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