Methane, 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
Δfliquid-113. ± 0.4kJ/molCcbLebedeva and Ryadenko, 1973ALS
Δfliquid-113.1 ± 0.63kJ/molCcbCass, Fletcher, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -93. ± 1. kJ/mol; ALS
Δfliquid-89.04 ± 0.75kJ/molCcbHolcomb and Dorsey, 1949ALS
Quantity Value Units Method Reference Comment
Δcliquid-709.6 ± 0.4kJ/molCcbLebedeva and Ryadenko, 1973ALS
Δcliquid-703. ± 1.kJ/molCcbKnobel, Miroshnichenko, et al., 1971ALS
Δcliquid-709.15 ± 0.59kJ/molCcbCass, Fletcher, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -730. ± 1. kJ/mol; ALS
Δcliquid-733.25 ± 0.75kJ/molCcbHolcomb and Dorsey, 1949ALS
Δcliquid-709.2kJ/molCcbSwientoslawski, 1910ALS
Quantity Value Units Method Reference Comment
liquid171.75J/mol*KN/AJones and Giauque, 1947DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
106.22308.Berman and West, 1969T = 308 to 473 K.; DH
108.8313.Hough, Mason, et al., 1950T = 313 to 363 K.; DH
105.98298.15Jones and Giauque, 1947T = 15 to 300 K.; DH
100.298.Williams, 1925T = 288 to 343 K. Equation only.; 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
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
Tboil374.1 ± 0.8KAVGN/AAverage of 17 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus244.6KN/AToops, 1956Uncertainty assigned by TRC = 0.05 K; TRC
Tfus244.55KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.4 K; TRC
Tfus243.11KN/ADreisbach and Martin, 1949Uncertainty assigned by TRC = 0.05 K; TRC
Tfus244.KN/AJoukovsky, 1934Uncertainty assigned by TRC = 2. K; TRC
Tfus243.95KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Ttriple244.77KN/AJones and Giauque, 1947, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc588.KN/AMajer and Svoboda, 1985 
Tc588.KN/AGriffin, 1949Uncertainty assigned by TRC = 3. K; taken from a plot of total P vs 1/T; TRC
Quantity Value Units Method Reference Comment
Pc58.70barN/AAmbrose, Counsell, et al., 1978Uncertainty assigned by TRC = 0.5865 bar; TRC
Pc63.10barN/AGriffin, 1949Uncertainty assigned by TRC = 1.0342 bar; from value pf vapor pressure at Tc, based on unpublished measurements; TRC
Quantity Value Units Method Reference Comment
ρc5.77mol/lN/AGriffin, 1949Uncertainty assigned by TRC = 0.05 mol/l; deduced from a series of P vs 1/T plots for various sample sizes in a fixed volume bomb; TRC
Quantity Value Units Method Reference Comment
Δvap38. ± 3.kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
33.99374.4N/AMajer and Svoboda, 1985 
38.271298.15N/AJones and Giauque, 1947P = 4.89 kPA; DH
35.2420.AStephenson and Malanowski, 1987Based on data from 405. to 476. K. See also Berman and West, 1967.; AC
36.8343.AStephenson and Malanowski, 1987Based on data from 328. to 410. K. See also McCullough, Scott, et al., 1954.; AC
37.2 ± 0.1318.CMcCullough, Scott, et al., 1954AC
36.3 ± 0.1335.CMcCullough, Scott, et al., 1954AC
35.2 ± 0.1353.CMcCullough, Scott, et al., 1954AC
34.0 ± 0.1374.CMcCullough, Scott, et al., 1954AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) β Tc (K) Reference Comment
318. to 374.53.330.2732588.Majer and Svoboda, 1985 

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
128.36298.15Jones and Giauque, 1947P; DH

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
405.0 to 476.4.11351229.574-76.221Berman and West, 1967Coefficents calculated by NIST from author's data.
328.86 to 409.64.405421446.196-45.633McCullough, Scott, et al., 1954Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
9.703244.77Jones and Giauque, 1947DH
9.7244.8Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
39.64244.77Jones and Giauque, 1947DH

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 and Ryadenko, 1973
Lebedeva, N.D.; Ryadenko, V.L.R., Enthalpies of formation of nitroalkanes, Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 1382. [all data]

Cass, Fletcher, et al., 1958
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Quincey, P.G.; Springall, H.D., Heats of combustion and molecular structure. Part IV. Aliphatic nitroalkanes and nitric esters, J. Chem. Soc., 1958, 958-962. [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]

Holcomb and Dorsey, 1949
Holcomb, D.E.; Dorsey, C.L., Jr., Thermodynamic properties of nitroparaffins, Ind. Eng. Chem., 1949, 41, 2788-2792. [all data]

Knobel, Miroshnichenko, et al., 1971
Knobel, Y.K.; Miroshnichenko, E.A.; Lebedev, Y.A., Heats of combustion of nitromethane and dinitromethane: enthalpies of formation of nitromethyl radicals and energies of dissociation of bonds in nitro derivatives of methane, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1971, 425-428. [all data]

Swientoslawski, 1910
Swientoslawski, W., Thermochemische Untersuchungen der organischen Verbindungen. Dritte Mitteilung. Stickstoffhaltige Verbindungen., Z. Phys. Chem., 1910, 72, 49-83. [all data]

Jones and Giauque, 1947
Jones, W.M.; Giauque, W.F., The entropy of nitromethane. Heat capacity of solid and liquid. Vapor pressure, heats of fusion and vaporization, J. Am. Chem. Soc., 1947, 69, 983-987. [all data]

Berman and West, 1969
Berman, H.A.; West, E.D., Heat capacity of liquid nitromethane from 35 to 200°C, J. Chem. Eng. Data, 1969, 14, 107-109. [all data]

Hough, Mason, et al., 1950
Hough, E.W.; Mason, D.M.; Sage, B.H., Heat capacities of several organic liquids, J. Am. Chem. Soc., 1950, 72, 5775-5777. [all data]

Williams, 1925
Williams, J.W., A study of the physical properties of nitromethane, J. Am. Chem. Soc., 1925, 47, 2644-2652. [all data]

Toops, 1956
Toops, E.E., Physical Properties of High Purity Nitroparaffins, J. Phys. Chem., 1956, 60, 304-6. [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Dreisbach and Martin, 1949
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 2875-8. [all data]

Joukovsky, 1934
Joukovsky, N.I., Experimental Study of the Theory of Concentrated Solutions. XI. Thermodynamic Properties of Concentrated Solutions of Aliphatic Organic Compounds Containing Nitrogen., Bull. Soc. Chim. Belg., 1934, 43, 397. [all data]

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]

Jones and Giauque, 1947, 2
Jones, W.M.; Giauque, W.F., The Entropy of Nitromethane. Heat Capacity of Solid and Liquid. Vapor Pressure, Heats of Fusion and Vaporizaion, J. Am. Chem. Soc., 1947, 69, 983-7. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Griffin, 1949
Griffin, D.N., The Critical Point of Nitromethane., J. Am. Chem. Soc., 1949, 71, 1423. [all data]

Ambrose, Counsell, et al., 1978
Ambrose, D.; Counsell, J.F.; Hicks, C.P., The correlation and estimation of vapour pressures: II a new procedure for estimation and extrapolation, J. Chem. Thermodyn., 1978, 10, 771. [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]

Berman and West, 1967
Berman, Horace A.; West, Estal Dale, Density and vapor pressure of nitromethane 26.degree. to 200.degree., J. Chem. Eng. Data, 1967, 12, 2, 197-199, https://doi.org/10.1021/je60033a011 . [all data]

McCullough, Scott, et al., 1954
McCullough, J.P.; Scott, D.W.; Pennington, R.E.; Hossenlopp, I.A.; Waddington, Guy, Nitromethane: The Vapor Heat Capacity, Heat of Vaporization, Vapor Pressure and Gas Imperfection; the Chemical Thermodynamic Properties from 0 to 1500°K., J. Am. Chem. Soc., 1954, 76, 19, 4791-4796, https://doi.org/10.1021/ja01648a008 . [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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