Nitrogen dioxide
- Formula: NO2
- Molecular weight: 46.0055
- IUPAC Standard InChIKey: JCXJVPUVTGWSNB-UHFFFAOYSA-N
- CAS Registry Number: 10102-44-0
- 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: Nitrogen oxide; Nitrito; Nitro; Nitrogen peroxide; Azote; Rcra waste number P078; Stickstoffdioxid; Stikstofdioxyde; Nitrogen dioxide (NO2)
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 | 33.10 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1964 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 240.04 | 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) | 298. to 1200. | 1200. to 6000. |
---|---|---|
A | 16.10857 | 56.82541 |
B | 75.89525 | 0.738053 |
C | -54.38740 | -0.144721 |
D | 14.30777 | 0.009777 |
E | 0.239423 | -5.459911 |
F | 26.17464 | 2.846456 |
G | 240.5386 | 290.5056 |
H | 33.09502 | 33.09502 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1964 | Data last reviewed in September, 1964 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 295.08 | K | N/A | Thorpe, 1880 | Uncertainty assigned by TRC = 0.5 K; TRC |
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 |
---|---|---|---|---|---|
217.6 to 294. | 3.35248 | 540.635 | -131.93 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: (NO2- • 4294967295NO2) + NO2 = NO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 449.0 ± 1.3 | kJ/mol | N/A | Davidson, Fehsenfeld, et al., 1977 | gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B |
ΔrH° | <192.9 | kJ/mol | PDis | Smith, Lee, et al., 1979 | gas phase; Isomer: O4- + NO ->.; B |
ΔrH° | 276. ± 21. | kJ/mol | PDis | Smith, Lee, et al., 1978 | gas phase; B |
By formula: 0.76NO2 + 0.62N2O4 + CH3NO3 = N2O5 + CH3NO2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.24 | kJ/mol | Cm | Ray and Ogg, 1959 | liquid phase; ALS |
By formula: CH3NO2 + HNO3 = 2NO2 + CH4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.48 | kJ/mol | Eqk | Silverwood and Thomas, 1967 | gas phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to NO2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.586 ± 0.002 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 591.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 560.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.60 ± 0.03 | END | Clemmer and Armentrout, 1992 | LL |
9.586 ± 0.002 | LS | Haber, Zwanziger, et al., 1988 | LL |
11.23 | PE | Kimura, Katsumata, et al., 1981 | LLK |
10.4 ± 0.3 | EI | Stephan, Helm, et al., 1980 | LLK |
≤9.62 ± 0.01 | PI | Killgoar, Leroi, et al., 1973 | LLK |
9.75 ± 0.01 | PI | Dibeler and Walker, 1967 | RDSH |
11.23 | PE | Katsumata, Shiromaru, et al., 1982 | Vertical value; LBLHLM |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
NO+ | 12.34 | O | PI | Dibeler and Walker, 1967 | RDSH |
O+ | 16.82 | NO | PI | Dibeler, Walker, et al., 1967 | RDSH |
Anion protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1423.5 ± 0.88 | kJ/mol | D-EA | Ervin, Ho, et al., 1988 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1396.3 ± 1.3 | kJ/mol | H-TS | Ervin, Ho, et al., 1988 | gas phase; B |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 82 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]
Thorpe, 1880
Thorpe, T.E.,
On the Relation Between the Molecular Weights of Substances and their Specific Gravities in the Liquid State,
J. Chem. Soc., 1880, 37, 141. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Davidson, Fehsenfeld, et al., 1977
Davidson, J.A.; Fehsenfeld, F.C.; Howard, C.J.,
The heats of formation of NO3- and NO3- association complexes with HNO3 and HBr,
Int. J. Chem. Kinet., 1977, 9, 17. [all data]
Smith, Lee, et al., 1979
Smith, G.P.; Lee, L.C.; Moseley, J.T.,
Photodissociation and photodetachment of molecular negative ions. VIII. Nitrogen oxides and hydrates,3500-8250 Å,
J. Chem. Phys., 1979, 71, 4034. [all data]
Smith, Lee, et al., 1978
Smith, G.P.; Lee, L.C.; Cosby, P.C.; Peterson, J.R.; Moseley, J.T.,
Photodissociation and photodetachment of molecular negative ions. V. Atmospheric ions from 7000 to 8400 A),
J. Chem. Phys., 1978, 68, 3818. [all data]
Ray and Ogg, 1959
Ray, J.D.; Ogg, R.A., Jr.,
The heat of formation of methyl nitrate,
J. Phys. Chem., 1959, 63, 1522-1523. [all data]
Silverwood and Thomas, 1967
Silverwood, R.; Thomas, J.H.,
Reaction between methanol and nitrogen dioxide. Part 1.-Low-temperature reaction and the thermodynamic constants of methyl nitrite,
J. Chem. Soc. Faraday Trans., 1967, 63, 2476-2479. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Ervin, Ho, et al., 1988
Ervin, K.M.; Ho, J.; Lineberger, W.C.,
Ultraviolet Photoelectron Spectrum of NO2-,
J. Phys. Chem., 1988, 92, 19, 5405, https://doi.org/10.1021/j100330a017
. [all data]
Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P.,
Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A- + B = A + B-,
J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037
. [all data]
Woo, Helmy, et al., 1981
Woo, S.B.; Helmy, E.M.; Mauk, P.H.; Paszek, A.P.,
Wide Range Absolute Photodetachment Spectrum of NO2-,
Phys. Rev. A, 1981, 24, 3, 1380, https://doi.org/10.1103/PhysRevA.24.1380
. [all data]
Herbst, Patterson, et al., 1974
Herbst, E.; Patterson, T.A.; Lineberger, W.C.,
Laser photodetachment of NO2-,
J. Chem. Phys., 1974, 61, 1300. [all data]
Tiernan and Wu, 1978
Tiernan, T.O.; Wu, R.L.C.,
Thermochemical Data for Molecular Negative Ions from Collisional Dissociation Thresholds,
Adv. Mass Spectrom., 1978, 7A, 136. [all data]
Hughes, Lifschitz, et al., 1973
Hughes, B.M.; Lifschitz, C.; Tiernan, T.O.,
Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO2, S2, CS2, Cl2, Br2, I2, and C2H,
J. Chem. Phys., 1973, 59, 3162. [all data]
Dunkin, Fehsenfeld, et al., 1972
Dunkin, D.B.; Fehsenfeld, F.C.; Ferguson, F.E.,
Thermal energy rate constants for the reactions NO2- + Cl2 → Cl2-, Cl2- + NO2 Ü Cl-, HS- + NO2 Ü NO2-, HS- + Cl2 Ü Cl2-, and S- + NO2 Ü NO2-,
Chem. Phys. Lett., 1972, 15, 257. [all data]
Lifshitz, Hughes, et al., 1970
Lifshitz, C.; Hughes, B.M.; Tiernan, T.O.,
Electron Affinities for Endothermic Negative Ion Charge Transfer Reactions: NO2 and SF6,
Chem. Phys. Lett., 1970, 7, 4, 469, https://doi.org/10.1016/0009-2614(70)80339-6
. [all data]
Chen and Wentworth, 1983
Chen, E.C.M.; Wentworth, W.E.,
Determination of molecular electron affinities using the electron capture detector in the pulse sampling mode at steady state,
J. Phys. Chem., 1983, 87, 45. [all data]
Richardson, Stephenson, et al., 1974
Richardson, J.H.; Stephenson, L.M.; Brauman, J.I.,
Photodetachment of NO2-: Experimental evidence for a new isomer,
Chem. Phys. Lett., 1974, 25, 318. [all data]
Pearson, Schaefer, et al., 1974
Pearson, P.K.; Schaefer, H.F., III; Richardson, J.H.; Stephenson, L.M.; Brauman, J.I.,
Three isomers of the NO2- ion,
J. Am. Chem. Soc., 1974, 96, 6778. [all data]
Ferguson, Dunkin, et al., 1972
Ferguson, E.E.; Dunkin, D.B.; Fehsenfeld, F.C.,
Reactions of NO2- and NO3- with HCl and HBr,
J. Chem. Phys., 1972, 57, 1459. [all data]
Durup, Parlant, et al., 1977
Durup, M.; Parlant, G.; Appell, J.; Durup, J.; Ozenne, J.-B.,
Translational spectroscopy of neutralization-reionization double collision processes of Ar+ ions at keV energies,
Chem. Phys., 1977, 25, 245. [all data]
Refaey, 1976
Refaey, K.M.A.,
Endoergic ion-molecule-Collision Processes of Negative Ions. IV. Collisions of I- on NO2, N2O and NO,
Int. J. Mass Spectrom. Ion Phys., 1976, 21, 21. [all data]
Leffert, Jackson, et al., 1973
Leffert, C.B.; Jackson, W.M.; Rothe, E.W.,
Measurement of the electron affinity of NO2,
J. Chem. Phys., 1973, 58, 5801. [all data]
Nalley, Compton, et al., 1973
Nalley, S.J.; Compton, R.N.; Schweinler, H.C.; Anderson, V.E.,
Molecular electron affinities from collisional ionization of cesium. I. NO, NO2, and N2O,
J. Chem. Phys., 1973, 59, 4125. [all data]
Baeda, 1972
Baeda, A.P.M.,
The adiabatic electron affinities of Cl2, Br2, I2, IBr, NO2, and O2,
Physica, 1972, 59, 541. [all data]
Berkowitz, Chupka, et al., 1971
Berkowitz, J.; Chupka, W.A.; Gutman, D.,
Electron Affinities of O2, O3, NO, NO2, and NO3 by Endothermic Charge Transfer,
J. Chem. Phys., 1971, 55, 6, 2733, https://doi.org/10.1063/1.1676488
. [all data]
Vogt, 1969
Vogt, D.,
Uber die Energieanhangigkeit und den Mechanismus von Reaktionen bei Stossen Langsamer Negativer Ionen auf Molekule,
Int. J. Mass Spectrom. Ion Phys., 1969, 3, 1-2, 81, https://doi.org/10.1016/0020-7381(69)80062-8
. [all data]
Warneck, 1969
Warneck, P.,
Photodetachment of NO2-,
Chem. Phys. Lett., 1969, 3, 7, 532, https://doi.org/10.1016/0009-2614(69)85054-2
. [all data]
Tsuda and Hamill, 1964
Tsuda, S.; Hamill, W.H.,
Ionization Efficiency Measurements by the Retarding Potential Difference Method,
Adv. Mass Spectrom., 1964, 3, 249. [all data]
Curran, 1962
Curran, R.K.,
Formation of NO2- by Charge Transfer at Very Low Energies,
Phys. Rev., 1962, 125, 3, 910, https://doi.org/10.1103/PhysRev.125.910
. [all data]
Farragher, Page, et al., 1964
Farragher, A.L.; Page, F.M.; Wheeler, R.C.,
Electron Affinities of the Nitrogen Oxides,
Disc. Faraday Soc., 1964, 37, 203, https://doi.org/10.1039/df9643700203
. [all data]
Clemmer and Armentrout, 1992
Clemmer, D.E.; Armentrout, P.B.,
Direct determination of the adiabatic ionization energy of NO2 as measured by guided ion-beam mass spectrometry,
J. Chem. Phys., 1992, 97, 2451. [all data]
Haber, Zwanziger, et al., 1988
Haber, K.S.; Zwanziger, F.X.; Campos, R.T.; Wiedmann, R.T.; Grant, E.R.,
Direct determination of the adiabatic ionization potential of NO2 by multiresonant optical absorption,
Chem. Phys. Lett., 1988, 144, 58. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Stephan, Helm, et al., 1980
Stephan, K.; Helm, H.; Kim, Y.B.; Seykora, G.; Ramler, J.; Grossl, M.; Mark, E.; Mark, T.D.,
Single and double ionization of nitrogen dioxide by electron impact from threshold up to 180 eV,
J. Chem. Phys., 1980, 73, 303. [all data]
Killgoar, Leroi, et al., 1973
Killgoar, P.C., Jr.; Leroi, G.E.; Chupka, W.A.; Berkowitz, J.,
Photoionization study of NO2. I. The ionization potential,
J. Chem. Phys., 1973, 59, 1370. [all data]
Dibeler and Walker, 1967
Dibeler, V.H.; Walker, J.A.,
Mass spectrometric study of the photoionization of small polyatomic molecules,
Advan. Mass Spectrom., 1967, 4, 767. [all data]
Katsumata, Shiromaru, et al., 1982
Katsumata, S.; Shiromaru, H.; Mitani, K.; Iwata, S.; Kimura, K.,
Photoelectron angular distribution and assignments of photoelectron spectra of nitrogen dioxide, nitromethane and nitrobenzene,
Chem. Phys., 1982, 69, 423. [all data]
Dibeler, Walker, et al., 1967
Dibeler, V.H.; Walker, J.A.; Liston, S.K.,
Mass spectrometric study of photoionization. VII.Nitrogen dioxide and nitrous oxide,
J.Res. NBS, 1967, 71A, 371. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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