Nitrogen dioxide

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law 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
Δfgas33.10kJ/molReviewChase, 1998Data last reviewed in September, 1964
Quantity Value Units Method Reference Comment
gas,1 bar240.04J/mol*KReviewChase, 1998Data 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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. to 1200.1200. to 6000.
A 16.1085756.82541
B 75.895250.738053
C -54.38740-0.144721
D 14.307770.009777
E 0.239423-5.459911
F 26.174642.846456
G 240.5386290.5056
H 33.0950233.09502
ReferenceChase, 1998Chase, 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, Henry's Law 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
Tboil295.08KN/AThorpe, 1880Uncertainty assigned by TRC = 0.5 K; TRC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
217.6 to 294.3.35248540.635-131.93Stull, 1947Coefficents calculated by NIST from author's data.

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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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

(Nitrogen oxide anion • 4294967295Nitrogen dioxide) + Nitrogen dioxide = Nitrogen oxide anion

By formula: (NO2- • 4294967295NO2) + NO2 = NO2-

Quantity Value Units Method Reference Comment
Δr449.0 ± 1.3kJ/molN/ADavidson, Fehsenfeld, et al., 1977gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B
Δr<192.9kJ/molPDisSmith, Lee, et al., 1979gas phase; Isomer: O4- + NO ->.; B
Δr276. ± 21.kJ/molPDisSmith, Lee, et al., 1978gas phase; B

0.76Nitrogen dioxide + 0.62Dinitrogen tetroxide + Methyl nitrate = Dinitrogen pentoxide + Methyl nitrite

By formula: 0.76NO2 + 0.62N2O4 + CH3NO3 = N2O5 + CH3NO2

Quantity Value Units Method Reference Comment
Δr36.24kJ/molCmRay and Ogg, 1959liquid phase; ALS

Methyl nitrite + Nitric acid = 2Nitrogen dioxide + Methyl Alcohol

By formula: CH3NO2 + HNO3 = 2NO2 + CH4O

Quantity Value Units Method Reference Comment
Δr66.48kJ/molEqkSilverwood and Thomas, 1967gas phase; ALS

Henry's Law data

Go To: Top, Gas phase thermochemistry data, 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.

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.0122500.TN/A 
0.010 N/AN/A 
0.041 CN/A 
0.0070 MN/AValue at T = 295. K.
0.040 CN/A 
0.024 CN/A 
0.012 LN/A 
0.0341800.TN/ACalculated from correlation between the polarizabilities and solubilities of stable gases. The temperature dependence is an estimate of the upper limit.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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 ± 0.002eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)591.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity560.3kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
2.2730 ± 0.0050LPESErvin, Ho, et al., 1988B
2.30 ± 0.10IMREChowdhury, Heinis, et al., 1986ΔGea(423 K) = -52.6 kcal/mol; ΔSea (estimated) = -0.82 eu.; B
2.275 ± 0.025LPDWoo, Helmy, et al., 1981B
2.36 ± 0.10LPESHerbst, Patterson, et al., 1974B
2.35 ± 0.10LPDSmith, Lee, et al., 1979B
2.40 ± 0.10CIDTTiernan and Wu, 1978B
2.28 ± 0.10IMRBHughes, Lifschitz, et al., 1973B
2.380 ± 0.060IMRBDunkin, Fehsenfeld, et al., 1972B
2.30 ± 0.15EndoLifshitz, Hughes, et al., 1970B
2.11 ± 0.18ECDChen and Wentworth, 1983B
2.800 ± 0.050LPDRichardson, Stephenson, et al., 1974See also Pearson, Schaefer, et al., 1974; B
1.800 ± 0.050LPDRichardson, Stephenson, et al., 1974B
<2.59998IMRBFerguson, Dunkin, et al., 1972B
1.80 ± 0.20NBIEDurup, Parlant, et al., 1977B
2.09999EndoRefaey, 1976B
2.500 ± 0.050NBIELeffert, Jackson, et al., 1973B
>2.50 ± 0.10NBIENalley, Compton, et al., 1973B
2.50 ± 0.10NBIEBaeda, 1972B
2.03998EndoBerkowitz, Chupka, et al., 1971B
2.07 ± 0.24IMRBVogt, 1969B
3.100 ± 0.050PDWarneck, 1969B
3.90 ± 0.20EIAETsuda and Hamill, 1964From MeNO2, EtNO2; B
>3.81995IMRBCurran, 1962B
3.9895SIFarragher, Page, et al., 1964The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.60 ± 0.03ENDClemmer and Armentrout, 1992LL
9.586 ± 0.002LSHaber, Zwanziger, et al., 1988LL
11.23PEKimura, Katsumata, et al., 1981LLK
10.4 ± 0.3EIStephan, Helm, et al., 1980LLK
≤9.62 ± 0.01PIKillgoar, Leroi, et al., 1973LLK
9.75 ± 0.01PIDibeler and Walker, 1967RDSH
11.23PEKatsumata, Shiromaru, et al., 1982Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
NO+12.34OPIDibeler and Walker, 1967RDSH
O+16.82NOPIDibeler, Walker, et al., 1967RDSH

Anion protonation reactions

Nitrogen oxide anion + Hydrogen cation = Nitrous acid

By formula: NO2- + H+ = HNO2

Quantity Value Units Method Reference Comment
Δr1423.5 ± 0.88kJ/molD-EAErvin, Ho, et al., 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr1396.3 ± 1.3kJ/molH-TSErvin, Ho, et al., 1988gas phase; B

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References