Benzene, nitro-

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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
Δfliquid12.5 ± 0.54kJ/molCcbLebedeva, Katin, et al., 1971Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 9.71 ± 0.42 kJ/mol; ALS
Δfliquid-16.kJ/molCcbSwarts, 1914See 14SWA2; ALS
Quantity Value Units Method Reference Comment
Δcliquid-3088.08 ± 0.42kJ/molCcbLebedeva, Katin, et al., 1971ALS
Δcliquid-3096.kJ/molCcbGarner and Abernethy, 1921ALS
Δcliquid-3073.8kJ/molCcbSwarts, 1914See 14SWA2; ALS
Quantity Value Units Method Reference Comment
liquid224.3J/mol*KN/AParks, Todd, et al., 1936Extrapolation below 90 K, 62.13 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
177.3303.15Reddy, 1986T = 303.15, 313.15 K.; DH
181.13298.15Lainez, Rodrigo, et al., 1985DH
176.303.Pacor, 1967DH
180.2293.Rastorguev and Ganiev, 1967T = 293 to 373 K.; DH
188.7335.5Lutskii and Panova, 1958T = 62 to 141°C. Value is unsmoothed experimental datum.; DH
179.95293.15Mazur, 1939T = 5 to 20°C.; DH
179.9293.Mazur, 1939, 2T = 5 to 20°C.; DH
186.69298.1Parks, Todd, et al., 1936T = 90 to 300 K.; DH
186.73298.Parks and Todd, 1934T = 273 to 299 K.; DH
177.4303.Willams and Daniels, 1924T = 303 to 358 K. Equation only.; DH
177.8298.von Reis, 1881T = 291 to 486 K.; 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
BS - Robert L. Brown and Stephen E. Stein
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
Tboil484. ± 2.KAVGN/AAverage of 24 out of 25 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus278.9 ± 0.2KAVGN/AAverage of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap54.5kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 313. to 353. K.; AC
Δvap55.013 ± 0.018kJ/molCKusano and Wadso, 1971ALS
Δvap55.0kJ/molN/AKusano and Wadsö, 1971AC
Δvap56.1 ± 1.7kJ/molMELebedeva, Katin, et al., 1971, 2Based on data from 291. to 305. K.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
54.7287.AStephenson and Malanowski, 1987Based on data from 279. to 296. K. See also Dykyj, 1972 and Lynch and Wilke, 1960.; AC
54.3303.N/AZaraiskii, 1985Based on data from 288. to 318. K.; AC
56.1 ± 0.42291.VLebedeva, Katin, et al., 1971ALS
52.5293.MESklyarenko, Markin, et al., 1958Based on data from 283. to 303. K.; AC
48.5422.N/AOliver and Grisard, 1952Based on data from 407. to 483. K. See also Boublik, Fried, et al., 1984.; AC
48.9425.N/AToral and Moles, 1933Based on data from 369. to 481. 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
407.3 to 483.784.215531727.592-73.438Brown, 1952Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
12.12278.8Domalski and Hearing, 1996AC
10.815278.9Pacor, 1967DH
12.121278.8Parks, Todd, et al., 1936DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
38.8278.9Pacor, 1967DH
43.48278.8Parks, Todd, et al., 1936DH

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

Go To: Top, Condensed phase thermochemistry data, Phase change data, UV/Visible spectrum, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

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


UV/Visible spectrum

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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Grammaticakis, 1950
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 90
Instrument n.i.g.
Melting point 5.7
Boiling point 210.8

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, UV/Visible spectrum, Notes

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

Lebedeva, Katin, et al., 1971
Lebedeva, N.D.; Katin, Y.A.; Akhmedova, G.Y., Standard enthalpy of formation of nitrobenzene, Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 1192-1193. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Swarts, 1914
Swarts, F., Sur la chaleur de combustion de quelques derives nitres aromatlques, Recl. Trav. Chim. Pays-Bas, 1914, 33, 281-298. [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]

Parks, Todd, et al., 1936
Parks, G.S.; Todd, S.S.; Moore, W.A., Thermal data on organic compounds. XVI. Some heat capacity, entropy and free energy data for typical benzene derivatives and heterocyclic compounds, J. Am. Chem. Soc., 1936, 58, 398-401. [all data]

Reddy, 1986
Reddy, K.S., Isentropic compressibilities of binary liquid mixtures at 303.15 and 313.15 K, J. Chem. Eng. Data, 1986, 31, 238-240. [all data]

Lainez, Rodrigo, et al., 1985
Lainez, A.; Rodrigo, M.; Roux, A.H.; Grolier, J.-P.E.; Wilhelm, E., Relations between structure and thermodynamic properties. Heat capacities of polar substances (nitrobenzene and benzonitrile) in alkane solutions, Calorim. Anal. Therm., 1985, 16, 153-158. [all data]

Pacor, 1967
Pacor, P., Applicability of the DuPont 900 DTA apparatus in quantitative differential thermal analysis, Anal. Chim. Acta, 1967, 37, 200-208. [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]

Lutskii and Panova, 1958
Lutskii, A.E.; Panova, A.N., Specific heat of liquid nitrobenzene, Zhur. Fiz. Khim., 1958, 32, 2183-2185. [all data]

Mazur, 1939
Mazur, J., Über die spezifische Wärme des Nitrobenzols, Acta Phys. Pol., 1939, 7, 290-304. [all data]

Mazur, 1939, 2
Mazur, J., Über die spezifische Wärme des Äthyläthers, des Nitrobenzols und des Schwefelkohlenstoffs, Z. Physik., 1939, 113, 710-720. [all data]

Parks and Todd, 1934
Parks, G.S.; Todd, S.S., Some heat capacity data for liquid nitrobenzene, no indication of allotropy, J. Chem. Phys., 1934, 2, 440-441. [all data]

Willams and Daniels, 1924
Willams, J.W.; Daniels, F., The specific heats of certain organic liquids at elevated temperatures, J. Am. Chem. Soc., 1924, 46, 903-917. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Kusano and Wadso, 1971
Kusano, K.; Wadso, I., Enthalpy of vaporization of some organic substances at 25.0°C and test of calorimeter, Bull. Chem. Soc. Jpn., 1971, 44, 1705-17. [all data]

Kusano and Wadsö, 1971
Kusano, Kazuhito; Wadsö, Ingemar, Enthalpy of Vaporization of Some Organic Substances at 25.0°C and Test of Calorimeter, Bull. Chem. Soc. Jpn., 1971, 44, 6, 1705-1707, https://doi.org/10.1246/bcsj.44.1705 . [all data]

Lebedeva, Katin, et al., 1971, 2
Lebedeva, N.D.; Katin, Y.A.; Akhmedova, G.Y., Russ. J. Phys. Chem., 1971, 45, 8, 1192. [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]

Lynch and Wilke, 1960
Lynch, E.J.; Wilke, C.R., Vapor Pressure of Nitrobenzene at Low Temperatures., J. Chem. Eng. Data, 1960, 5, 3, 300-300, https://doi.org/10.1021/je60007a018 . [all data]

Zaraiskii, 1985
Zaraiskii, A.P., Zh. Fiz. Khim., 1985, 59, 2087. [all data]

Sklyarenko, Markin, et al., 1958
Sklyarenko, S.I.; Markin, B.I.; Belyaeva, L.B., Zh. Fiz. Khim., 1958, 32, 1916. [all data]

Oliver and Grisard, 1952
Oliver, George D.; Grisard, J.W., Thermal Data, Vapor Pressure and Entropy of Bromine Trifluoride 1, J. Am. Chem. Soc., 1952, 74, 11, 2705-2707, https://doi.org/10.1021/ja01131a003 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Toral and Moles, 1933
Toral, M.T.; Moles, E., An. R. Soc. Esp. Fis. Quim., 1933, 31, 735. [all data]

Brown, 1952
Brown, I., Liquid-Vapour Equilibria. III. The Systems Benzene-n-Heptane, n-Hexane-Chlorobenzene, and cycloHexane-Nitrobenzene, Aust. J. Sci. Res. Ser. A:, 1952, 5, 530-540. [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]

Grammaticakis, 1950
Grammaticakis, P., Contribution a l'etude de l'absorption dans l'ultraviolet moyen des anilines ortho-substituees. III. Orthonitro- et orthocarboxy- anilines N-substituees, Bull. Soc. Chim. Fr., 1950, 17, 158-166. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, UV/Visible spectrum, References