Methane, tetranitro-
- Formula: CN4O8
- Molecular weight: 196.0327
- IUPAC Standard InChIKey: NYTOUQBROMCLBJ-UHFFFAOYSA-N
- CAS Registry Number: 509-14-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Tetranitromethane; TNM; NCI-C55947; Rcra waste number P112; UN 1510
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Gas 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 82. ± 2. | kJ/mol | Ccb | Lebedev, Miroshnichenko, et al., 1975 |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 38. ± 2. | kJ/mol | Ccb | Lebedev, Miroshnichenko, et al., 1975 | |
ΔfH°liquid | 37. ± 3. | kJ/mol | Ccb | Gardner and Grigger, 1963 | |
ΔfH°liquid | 41.2 ± 4.2 | kJ/mol | Ccb | Roth and Isecke, 1944 | Reanalyzed by Cox and Pilcher, 1970, Original value = 37. ± 2. kJ/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -432. ± 2. | kJ/mol | Ccb | Lebedev, Miroshnichenko, et al., 1975 | |
ΔcH°liquid | -434.7 ± 4.2 | kJ/mol | Ccb | Roth and Isecke, 1944 | Reanalyzed by Cox and Pilcher, 1970, Original value = -430.5 kJ/mol |
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 399.2 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 287.05 | K | N/A | Timmermans and Hennaut-Roland, 1955 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 49.96 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 43.9 ± 0.4 | kJ/mol | C | Lebedev, Miroshnichenko, et al., 1975 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
43.1 | 301. | A | Stephenson and Malanowski, 1987 | Based on data from 286. to 373. K.; AC |
42.9 | 328. | A | Stephenson and Malanowski, 1987 | Based on data from 313. to 373. K. See also Boublik, Fried, et al., 1984 and Edwards, 1952.; AC |
46.6 | 288. | N/A | Stephenson and Malanowski, 1987 | Based on data from 273. to 313. K. See also Boublik, Fried, et al., 1984 and Nicholson, 1949.; AC |
40.74 | 399.2 | N/A | Majer and Svoboda, 1985 | |
43.1 ± 2.1 | 313. | V | Edwards, 1952, 2 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 41. kJ/mol; ALS |
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 |
---|---|---|---|---|---|
313. to 373. | 4.54919 | 1582.071 | -49.74 | Edwards, 1952, 3 | Coefficents calculated by NIST from author's data. |
273. to 313. | 1.75688 | 498.772 | -158.538 | Nicholson, 1949, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
47.4 | 271. | Stephenson and Malanowski, 1987 | Based on data from 255. to 286. K. See also Seki and Nitta, 1941.; AC |
Gas phase ion energetics 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 by: Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.55 | PE | Koo, Chin, et al., 1990 | Vertical value |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lebedev, Miroshnichenko, et al., 1975
Lebedev, V.P.; Miroshnichenko, E.A.; Matyushin, Yu.N.; Larionov, V.P.; Romanov, V.S.; Bukolov, Yu.E.; Denisov, G.M.; Balepin, A.A.; Lebedev, Yu.A.,
Semimicrocalorimetric determination of gas-phase enthalpies of formation of compounds containing nitrogen and oxygen. II. calorimetric determinationi of enthalpies of formation [of Tetranitromethane],
Russ. J. Phys. Chem. (Engl. Transl.), 1975, 49, 1133-1136, In original 1933. [all data]
Gardner and Grigger, 1963
Gardner, D.M.; Grigger, J.C.,
Heat of formation of tetranitromethane by combustion calorimetry,
J. Chem. Eng. Data, 1963, 8, 73-74. [all data]
Roth and Isecke, 1944
Roth, W.A.; Isecke, K.,
Die verbrennungs- und bildungswarme des tetranitromethans,
Ber., 1944, 77, 537-539. [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]
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]
Timmermans and Hennaut-Roland, 1955
Timmermans, J.; Hennaut-Roland, M.,
Work of the International Bureau of Physical-Chemical Standards. IX. The Physical Constants of Twenty Organic Compounds,
J. Chim. Phys. Phys.-Chim. Biol., 1955, 52, 223. [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]
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]
Edwards, 1952
Edwards, G.,
The vapour pressure of tetranitromethane,
Trans. Faraday Soc., 1952, 48, 513, https://doi.org/10.1039/tf9524800513
. [all data]
Nicholson, 1949
Nicholson, A.J.C.,
331. Some physical properties of tetranitromethane,
J. Chem. Soc., 1949, 1553, https://doi.org/10.1039/jr9490001553
. [all data]
Edwards, 1952, 2
Edwards, G.,
The vapour pressure of tetranitromethane,
Trans. Faraday Soc., 1952, 48, 000. [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]
Edwards, 1952, 3
Edwards, G.,
The Vapour Pressure of Tetranitromethane,
Trans. Faraday Soc., 1952, 48, 513-515, https://doi.org/10.1039/tf9524800513
. [all data]
Nicholson, 1949, 2
Nicholson, A.J.C.,
Some Physical Properties of Tetranitromethane,
J. Chem. Soc., 1949, 1553-1555, https://doi.org/10.1039/jr9490001553
. [all data]
Seki and Nitta, 1941
Seki, S.; Nitta, I.,
J. Chem. Soc. Jpn., 1941, 62, 907. [all data]
Koo, Chin, et al., 1990
Koo, L.K.; Chin, W.S.; Mok, C.Y.; Huang, H.H.,
A study of the pyrolysis of trinitro- and tetranitromethane by photoelectron spectroscopy,
Bull. Singapore Natl. Inst. Chem., 1990, 18, 121. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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