Dinitrogen tetroxide
- Formula: N2O4
- Molecular weight: 92.0110
- IUPAC Standard InChIKey: WFPZPJSADLPSON-UHFFFAOYSA-N
- CAS Registry Number: 10544-72-6
- 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: dinitrogen tetraoxide
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 9.08 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1964 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 304.38 | J/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1964 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 500. to 1000. | 1000. to 6000. |
---|---|---|
A | 34.05274 | 128.6220 |
B | 191.9845 | 2.524345 |
C | -151.0575 | -0.520883 |
D | 44.39350 | 0.036630 |
E | -0.158949 | -11.55704 |
F | -8.893428 | -59.22619 |
G | 293.7724 | 417.0444 |
H | 9.078988 | 9.078988 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1964 | Data last reviewed in September, 1964 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References, Notes
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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.8 ± 0.2 | PE | Frost, McDowell, et al., 1977 | LLK |
11.4 ± 0.1 | PE | Chong, Frost, et al., 1982 | Vertical value; LBLHLM |
11.5 ± 0.1 | PE | Nomoto, Achiba, et al., 1979 | Vertical value; LLK |
11.4 ± 0.1 | PE | Nomoto, Achiba, et al., 1979, 2 | Vertical value; LLK |
11.4 ± 0.1 | PE | Gan, Peel, et al., 1977 | Vertical value; LLK |
11. | PE | Yamazaki and Kimura, 1976 | Vertical value; LLK |
11.6 | PE | Ames and Turner, 1976 | Vertical value; LLK |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Marilyn E. Jacox
State: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 52600 | T | gas | Bass, Ledford, et al., 1976 | ||||
State: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 37700 | T | gas | Bass, Ledford, et al., 1976 | ||||
State: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 29400 | gas | Bass, Ledford, et al., 1976 | |||||
State: X
Additional references: Jacox, 1994, page 350; Jacox, 1998, page 321; Jacox, 2003, page 330; Smith and Hedberg, 1956
Notes
s | Strong |
vs | Very strong |
T | Tentative assignment or approximate value |
x | Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state. |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Frost, McDowell, et al., 1977
Frost, D.C.; McDowell, C.A.; Westwood, N.P.C.,
The photoelectron spectrum of dinitrogen tetroxide,
J. Electron Spectrosc. Relat. Phenom., 1977, 10, 293. [all data]
Chong, Frost, et al., 1982
Chong, D.P.; Frost, D.C.; Lau, W.M.; McDowell, C.A.,
Shake-up satellites in HeI photoelectron spectra: N2O4 and CH3NO,
Chem. Phys. Lett., 1982, 90, 332. [all data]
Nomoto, Achiba, et al., 1979
Nomoto, K.; Achiba, Y.; Kimura, K.,
HeII(304 Å) photoelectron spectrum of N2O4,
Chem. Phys. Lett., 1979, 63, 277. [all data]
Nomoto, Achiba, et al., 1979, 2
Nomoto, K.; Achiba, Y.; Kimura, K.,
HeI and HeII photoelectron study of N2O4,
Bull. Chem. Soc. Jpn., 1979, 52, 1614. [all data]
Gan, Peel, et al., 1977
Gan, T.H.; Peel, J.B.; Willett, G.D.,
Reinterpretation of the photoelectron spectrum of dinitrogen tetroxide,
J. Chem. Soc. Faraday Trans. 2, 1977, 73, 1459. [all data]
Yamazaki and Kimura, 1976
Yamazaki, T.; Kimura, K.,
He I photoelectron spectrum of dinitrogen tetraoxide (N2O4),
Chem. Phys. Lett., 1976, 43, 502. [all data]
Ames and Turner, 1976
Ames, D.L.; Turner, D.W.,
Photoelectron spectroscopic studies of dinitrogen tetroxide and dinitrogen pentoxide,
Proc. R. Soc. London A:, 1976, 348, 175. [all data]
Bass, Ledford, et al., 1976
Bass, A.M.; Ledford, A.E., Jr.; Laufer, A.H.,
Extinction coefficients of NO2 and N2O4,
J. Res. Natl. Bur. Std., 1976, 80A, 2, 143, https://doi.org/10.6028/jres.080A.017
. [all data]
Bolduan and Jodl, 1982
Bolduan, F.; Jodl, H.J.,
Raman spectroscopy on matrix-isolated No+, No-3 and N2O4 in Ne,
Chem. Phys. Lett., 1982, 85, 3, 283, https://doi.org/10.1016/0009-2614(82)80294-7
. [all data]
Tevault and Andrews, 1974
Tevault, D.E.; Andrews, L.,
Spectrochim. Acta, 1974, 30A, 969. [all data]
Bibart and Ewing, 1974
Bibart, C.H.; Ewing, G.E.,
Vibrational spectrum, torsional potential, and bonding of gaseous N2O4,
J. Chem. Phys., 1974, 61, 4, 1284, https://doi.org/10.1063/1.1682051
. [all data]
Koput, Seibert, et al., 1993
Koput, J.; Seibert, J.W.G.; Winnewisser, B.P.,
The torsional potential energy function of N2O4,
Chem. Phys. Lett., 1993, 204, 1-2, 183, https://doi.org/10.1016/0009-2614(93)85625-X
. [all data]
Melen, Carleer, et al., 1992
Melen, F.; Carleer, M.; Herman, M.,
Fourier transform jet spectrum of the ν9 band of N2O4,
Chem. Phys. Lett., 1992, 199, 1-2, 124, https://doi.org/10.1016/0009-2614(92)80058-J
. [all data]
Luckhaus and Quack, 1993
Luckhaus, D.; Quack, M.,
High resolution FTIR spectra of "NOX" (NO2, N2O4) in supersonic jet expansions and their rovibrational analysis,
J. Mol. Struct., 1993, 293, 213, https://doi.org/10.1016/0022-2860(93)80052-W
. [all data]
Domenech, Andrews, et al., 1994
Domenech, J.L.; Andrews, A.M.; Belov, S.P.; Fraser, G.T.; Lafferty, W.J.,
Infrared diode-laser spectra of the ν9 and ν11 N--O stretching bands of N2O4,
J. Chem. Phys., 1994, 100, 10, 6993, https://doi.org/10.1063/1.466900
. [all data]
Hepp, Georges, et al., 2000
Hepp, M.; Georges, R.; Herman, M.; Flaud, J.-M.; Lafferty, W.J.,
Striking anharmonic resonances in N2O4: supersonic jet fourier transform spectra at 13.3, 7.9, 5.7 and 3.2μm,
J. Mol. Struct., 2000, 517/518, 171, https://doi.org/10.1016/S0022-2860(99)00248-3
. [all data]
Beckers, Zeng, et al., 2010
Beckers, H.; Zeng, X.; Willner, H.,
Intermediates Involved in the Oxidation of Nitrogen Monoxide: Photochemistry of the,
Chem. Eur. J., 2010, 16, 5, 1506, https://doi.org/10.1002/chem.200902406
. [all data]
Louis and Crawford, 1965
Louis, R.V.St.; Crawford, B., Jr.,
Infrared Spectrum of Matrix-Isolated NO2,
J. Chem. Phys., 1965, 42, 3, 857, https://doi.org/10.1063/1.1696071
. [all data]
Bandow, Akimoto, et al., 1984
Bandow, H.; Akimoto, H.; Akiyama, S.; Tezuka, T.,
Photolysis of asym-N2O4 (ONONO2) isolated in an argon matrix at 11 K,
Chem. Phys. Lett., 1984, 111, 4-5, 496, https://doi.org/10.1016/0009-2614(84)85547-5
. [all data]
Varetti and Pimentel, 1971
Varetti, E.L.; Pimentel, G.C.,
Isomeric Forms of Dinitrogen Trioxide in a Nitrogen Matrix,
J. Chem. Phys., 1971, 55, 8, 3813, https://doi.org/10.1063/1.1676666
. [all data]
Fateley, Bent, et al., 1959
Fateley, W.G.; Bent, H.A.; Crawford, B., Jr.,
Infrared Spectra of the Frozen Oxides of Nitrogen,
J. Chem. Phys., 1959, 31, 1, 204, https://doi.org/10.1063/1.1730296
. [all data]
Luckhaus and Quack, 1992
Luckhaus, D.; Quack, M.,
High-resolution FTIR spectra of NO2 and N2O4 in supersonic jet expansions and their rovibrational analysis,
Chem. Phys. Lett., 1992, 199, 3-4, 293, https://doi.org/10.1016/0009-2614(92)80121-Q
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Smith and Hedberg, 1956
Smith, D.W.; Hedberg, K.,
Molecular Structure of Gaseous Dinitrogen Tetroxide,
J. Chem. Phys., 1956, 25, 6, 1282, https://doi.org/10.1063/1.1743200
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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