- Formula: NO2
- Molecular weight: 46.0055
- IUPAC Standard InChI:
- Download the identifier in a file.
- 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
- 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, 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.
|fH°gas||7.911||kcal/mol||Review||Chase, 1998||Data last reviewed in September, 1964|
|S°gas,1 bar||57.371||cal/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 +
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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
|Temperature (K)||298. - 1200.||1200. - 6000.|
|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, Mass spectrum (electron ionization), References, Notes
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
|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 (atm)
T = temperature (K)
|217.6 - 294.||3.34677||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, Mass spectrum (electron ionization), References, Notes
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.
( 4294967295) + =
By formula: (NO2- 4294967295NO2) + NO2 = NO2-
|rH°||107.31 ± 0.30||kcal/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|
|rH°||<46.10||kcal/mol||PDis||Smith, Lee, et al., 1979||gas phase; Isomer: O4- + NO ->.; B|
|rH°||66.0 ± 5.0||kcal/mol||PDis||Smith, Lee, et al., 1978||gas phase; B|
0.76 + 0.62 + = +
By formula: 0.76NO2 + 0.62N2O4 + CH3NO3 = N2O5 + CH3NO2
|rH°||8.662||kcal/mol||Cm||Ray and Ogg, 1959||liquid phase; ALS|
+ = 2 +
By formula: CH3NO2 + HNO3 = 2NO2 + CH4O
|rH°||15.89||kcal/mol||Eqk||Silverwood and Thomas, 1967||gas phase; ALS|
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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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|
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
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, 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]
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point fH°gas Enthalpy of formation of gas at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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