Nitric acid

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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
Δfgas-32.101kcal/molReviewChase, 1998Data last reviewed in June, 1963
Quantity Value Units Method Reference Comment
gas,1 bar63.669cal/mol*KReviewChase, 1998Data last reviewed in June, 1963

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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1200.1200. to 6000.
A 4.69223023.29340
B 36.797301.297701
C -27.68590-0.246101
D 7.8584020.016241
E -0.059540-2.938131
F -35.10559-46.00650
G 59.2028982.17139
H -32.09990-32.09990
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1963 Data last reviewed in June, 1963

Phase change data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference Comment
9.23312.Holeci, 1966Based on data from 273. to 356. K.

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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

(NO3 anion • Nitric acid) + Nitric acid = (NO3 anion • 2Nitric acid)

By formula: (NO3- • HNO3) + HNO3 = (NO3- • 2HNO3)

Quantity Value Units Method Reference Comment
Δr18.3 ± 1.0kcal/molTDAsDavidson, Fehsenfeld, et al., 1977gas phase; B,M
Δr16.00 ± 0.80kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B,M
Δr18.4kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Δr17.7kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Δr20.0kcal/molATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Δr22.1cal/mol*KFADavidson, Fehsenfeld, et al., 1977gas phase; M
Δr25.cal/mol*KN/AArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Δr23.1cal/mol*KHPMSWlodek, Luczynski, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr11.7 ± 2.2kcal/molTDAsDavidson, Fehsenfeld, et al., 1977gas phase; B,M
Δr9.00 ± 0.30kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
12.6233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
13.8250.ATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M

(NO3 anion • 2Nitric acid) + Nitric acid = (NO3 anion • 3Nitric acid)

By formula: (NO3- • 2HNO3) + HNO3 = (NO3- • 3HNO3)

Quantity Value Units Method Reference Comment
Δr16.1 ± 1.0kcal/molTDAsDavidson, Fehsenfeld, et al., 1977gas phase; B,M
Δr13.9 ± 1.4kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B,M
Δr16.0kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Δr16.0kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Δr28.9cal/mol*KFADavidson, Fehsenfeld, et al., 1977gas phase; M
Δr26.7cal/mol*KHPMSWlodek, Luczynski, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr7.4 ± 2.2kcal/molTDAsDavidson, Fehsenfeld, et al., 1977gas phase; B
Δr5.90 ± 0.40kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B
Δr6.9kcal/molFAFehsenfeld, Howard, et al., 1975gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.2233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

NO3 anion + Hydrogen cation = Nitric acid

By formula: NO3- + H+ = HNO3

Quantity Value Units Method Reference Comment
Δr324.50 ± 0.20kcal/molTDEqDavidson, Fehsenfeld, et al., 1977gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B
Δr329.9 ± 4.8kcal/molNBAEMathur, Rothe, et al., 1976gas phase; From HNO3; B
Δr329.1 ± 5.8kcal/molEndoRefaey and Franklin, 1976gas phase; I- + HNO3 ->.; B
Δr324.50 ± 0.50kcal/molTDEqFerguson, Dunkin, et al., 1972gas phase; B
Δr356.30kcal/molEndoBerkowitz, Chupka, et al., 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr317.80 ± 0.20kcal/molTDEqDavidson, Fehsenfeld, et al., 1977gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B

(Bromine anion • Nitric acid) + Nitric acid = (Bromine anion • 2Nitric acid)

By formula: (Br- • HNO3) + HNO3 = (Br- • 2HNO3)

Quantity Value Units Method Reference Comment
Δr18.1kcal/molFADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KN/ADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr11.1kcal/molFADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M

Bromine anion + Nitric acid = (Bromine anion • Nitric acid)

By formula: Br- + HNO3 = (Br- • HNO3)

Quantity Value Units Method Reference Comment
Δr20.0kcal/molFADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M
Quantity Value Units Method Reference Comment
Δr18.5cal/mol*KFADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
13.4367.FADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M

(NO3 anion • Nitric acid) + Water = (NO3 anion • Water • Nitric acid)

By formula: (NO3- • HNO3) + H2O = (NO3- • H2O • HNO3)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.3233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(HO4S- • 2Sulfuric Acid) + Nitric acid = (HO4S- • Nitric acid • 2Sulfuric Acid)

By formula: (HO4S- • 2H2O4S) + HNO3 = (HO4S- • HNO3 • 2H2O4S)

Quantity Value Units Method Reference Comment
Δr15.9kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.3233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(HO4S- • 3Sulfuric Acid) + Nitric acid = (HO4S- • Nitric acid • 3Sulfuric Acid)

By formula: (HO4S- • 3H2O4S) + HNO3 = (HO4S- • HNO3 • 3H2O4S)

Quantity Value Units Method Reference Comment
Δr16.9kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
11.1233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(HO4S- • Nitric acid) + HO3S = (HO4S- • HO3S • Nitric acid)

By formula: (HO4S- • HNO3) + HO3S = (HO4S- • HO3S • HNO3)

Quantity Value Units Method Reference Comment
Δr21.7kcal/molATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
15.5250.ATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M

(HO4S- • Nitric acid) + Water = (HO4S- • Water • Nitric acid)

By formula: (HO4S- • HNO3) + H2O = (HO4S- • H2O • HNO3)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.2233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(HO4S- • Nitric acid) + Nitric acid = (HO4S- • 2Nitric acid)

By formula: (HO4S- • HNO3) + HNO3 = (HO4S- • 2HNO3)

Quantity Value Units Method Reference Comment
Δr18.4kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
12.6233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(NO3 anion • 3Nitric acid) + Nitric acid = (NO3 anion • 4Nitric acid)

By formula: (NO3- • 3HNO3) + HNO3 = (NO3- • 4HNO3)

Quantity Value Units Method Reference Comment
Δr9.3 ± 1.3kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.9cal/mol*KHPMSWlodek, Luczynski, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr3.20 ± 0.40kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B
Δr6.9 ± 1.0kcal/molIMREFehsenfeld, Howard, et al., 1975gas phase; B

(NO3 anion • Nitric acid) + Hydrogen bromide = (NO3 anion • Hydrogen bromide • Nitric acid)

By formula: (NO3- • HNO3) + HBr = (NO3- • HBr • HNO3)

Quantity Value Units Method Reference Comment
Δr16.0kcal/molFADavidson, Fehsenfeld, et al., 1977gas phase; switching reaction(NO3-)2HNO3; M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KFADavidson, Fehsenfeld, et al., 1977gas phase; switching reaction(NO3-)2HNO3; M
Quantity Value Units Method Reference Comment
Δr9.2kcal/molFADavidson, Fehsenfeld, et al., 1977gas phase; switching reaction(NO3-)2HNO3; M

(NO3 anion • 5Nitric acid) + Nitric acid = (NO3 anion • 6Nitric acid)

By formula: (NO3- • 5HNO3) + HNO3 = (NO3- • 6HNO3)

Quantity Value Units Method Reference Comment
Δr4.60 ± 0.90kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr7.3cal/mol*KHPMSWlodek, Luczynski, et al., 1980gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr2.40 ± 0.70kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B

(NO3 anion • 4Nitric acid) + Nitric acid = (NO3 anion • 5Nitric acid)

By formula: (NO3- • 4HNO3) + HNO3 = (NO3- • 5HNO3)

Quantity Value Units Method Reference Comment
Δr7.4 ± 1.2kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.6cal/mol*KHPMSWlodek, Luczynski, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr1.9 ± 1.0kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B

(NO3 anion • Hydrogen bromide) + Nitric acid = (NO3 anion • Nitric acid • Hydrogen bromide)

By formula: (NO3- • HBr) + HNO3 = (NO3- • HNO3 • HBr)

Quantity Value Units Method Reference Comment
Δr16.0 ± 2.0kcal/molTDEqDavidson, Fehsenfeld, et al., 1977gas phase; B
Quantity Value Units Method Reference Comment
Δr9.6 ± 2.8kcal/molTDEqDavidson, Fehsenfeld, et al., 1977gas phase; B

1,2,3-Propanetriol, 1,3-dinitrate + Nitric acid = Nitroglycerin + Water

By formula: C3H6N2O7 + HNO3 = C3H5N3O9 + H2O

Quantity Value Units Method Reference Comment
Δr-1.4 ± 0.3kcal/molEqkKazakov, Kirpichev, et al., 1990liquid phase; Heat of nitration; ALS
Δr-1.3 ± 0.3kcal/molCmKazakov, Lagodzinskaya, et al., 1989liquid phase; ALS

Glycerin + Nitric acid = 1,2,3-Propanetriol, 1-nitrate + Water

By formula: C3H8O3 + HNO3 = C3H7NO5 + H2O

Quantity Value Units Method Reference Comment
Δr-4.5 ± 0.5kcal/molEqkKazakov, Kirpichev, et al., 1990liquid phase; Heat of Nitration; ALS
Δr-2.39kcal/molCmTsvetkov, Sopin, et al., 1986liquid phase; ALS

NO3 anion + Nitric acid = (NO3 anion • Nitric acid)

By formula: NO3- + HNO3 = (NO3- • HNO3)

Quantity Value Units Method Reference Comment
Δr24.cal/mol*KN/ADavidson, Fehsenfeld, et al., 1977gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M

Sodium ion (1+) + Nitric acid = (Sodium ion (1+) • Nitric acid)

By formula: Na+ + HNO3 = (Na+ • HNO3)

Quantity Value Units Method Reference Comment
Δr20.6kcal/molFAPerry, Rowe, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KFAPerry, Rowe, et al., 1980gas phase; M

Glycerol-2-nitrate + Nitric acid = Glycerol, 1,2-dinitrate + Water

By formula: C3H7NO5 + HNO3 = C3H6N2O7 + H2O

Quantity Value Units Method Reference Comment
Δr-3.7 ± 0.7kcal/molEqkKazakov, Kirpichev, et al., 1990liquid phase; Heat of nitration; ALS

Glycerin + Nitric acid = Glycerol-2-nitrate + Water

By formula: C3H8O3 + HNO3 = C3H7NO5 + H2O

Quantity Value Units Method Reference Comment
Δr-2.5 ± 0.6kcal/molEqkKazakov, Kirpichev, et al., 1990liquid phase; Heat of nitration; ALS

Glycerol, 1,2-dinitrate + Water = 1,2,3-Propanetriol, 1-nitrate + Nitric acid

By formula: C3H6N2O7 + H2O = C3H7NO5 + HNO3

Quantity Value Units Method Reference Comment
Δr1.7 ± 0.6kcal/molEqkKazakov, Kirpichev, et al., 1990liquid phase; Heat of nitration; ALS

Glycerol, 1,2-dinitrate + Nitric acid = Nitroglycerin + Water

By formula: C3H6N2O7 + HNO3 = C3H5N3O9 + H2O

Quantity Value Units Method Reference Comment
Δr-2.5 ± 0.3kcal/molEqkKazakov, Kirpichev, et al., 1990liquid phase; Heat of nitration; ALS

1,2,3-Propanetriol, 1-nitrate + 2Nitric acid = Nitroglycerin + 2Water

By formula: C3H7NO5 + 2HNO3 = C3H5N3O9 + 2H2O

Quantity Value Units Method Reference Comment
Δr-4.2 ± 0.3kcal/molCmKazakov, Lagodzinskaya, et al., 1989liquid phase; ALS

Glycerin + 3Nitric acid = Nitroglycerin + 3Water

By formula: C3H8O3 + 3HNO3 = C3H5N3O9 + 3H2O

Quantity Value Units Method Reference Comment
Δr-8.7 ± 0.4kcal/molCmKazakov, Lagodzinskaya, et al., 1989liquid phase; ALS

1,3-Propanediol, 2-(hydroxymethyl)- + Nitric acid = Ethanol, 2-(2-hydroxyethoxy)-, 1-nitrate + Water

By formula: C4H10O3 + HNO3 = C4H9NO5 + H2O

Quantity Value Units Method Reference Comment
Δr-2.70kcal/molCmTsvetkov, Sopin, et al., 1986liquid phase; ALS

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

By formula: CH3NO2 + HNO3 = 2NO2 + CH4O

Quantity Value Units Method Reference Comment
Δr15.89kcal/molEqkSilverwood and Thomas, 1967gas phase; ALS

Acetic acid, trifluoro-, anhydride + Nitric acid = C2F3NO4 + Trifluoroacetic acid

By formula: C4F6O3 + HNO3 = C2F3NO4 + C2HF3O2

Quantity Value Units Method Reference Comment
Δr-6.60kcal/molCmTsvetkov, Shmakov, et al., 1989liquid phase; ALS

Pentaerythritol + Nitric acid = C5H11NO6 + Water

By formula: C5H12O4 + HNO3 = C5H11NO6 + H2O

Quantity Value Units Method Reference Comment
Δr-3.70kcal/molCmTsvetkov, Sopin, et al., 1986liquid phase; ALS

1,2-Ethanediol + Nitric acid = 2-hydroxyethyl nitrate + Water

By formula: C2H6O2 + HNO3 = C2H5NO4 + H2O

Quantity Value Units Method Reference Comment
Δr-1.9kcal/molCmTsvetkov, Sopin, et al., 1986liquid phase; ALS

Ethanol, 2,2'-oxybis- + Nitric acid = Ethanol, 2-(2-hydroxyethoxy)-, 1-nitrate + Water

By formula: C4H10O3 + HNO3 = C4H9NO5 + H2O

Quantity Value Units Method Reference Comment
Δr-2.1kcal/molCmTsvetkov, Sopin, et al., 1986liquid phase; ALS

Acetyl nitrate + Acetic acid = Acetic anhydride + Nitric acid

By formula: C2H3NO4 + C2H4O2 = C4H6O3 + HNO3

Quantity Value Units Method Reference Comment
Δr3.99kcal/molCmTsvetkov, Shmakov, et al., 1989liquid phase; ALS

Isopropyl Alcohol + Nitric acid = Nitric acid, 1-methylethyl ester + Water

By formula: C3H8O + HNO3 = C3H7NO3 + H2O

Quantity Value Units Method Reference Comment
Δr-5.59kcal/molEqkRubtsov, 1986liquid phase; ALS

Methyl Alcohol + Nitric acid = Methyl nitrate + Water

By formula: CH4O + HNO3 = CH3NO3 + H2O

Quantity Value Units Method Reference Comment
Δr-6.60kcal/molEqkRubtsov, 1986liquid phase; ALS

Ethanol + Nitric acid = Nitric acid, ethyl ester + Water

By formula: C2H6O + HNO3 = C2H5NO3 + H2O

Quantity Value Units Method Reference Comment
Δr-6.00kcal/molEqkRubtsov, 1986liquid phase; ALS

1-Propanol + Nitric acid = Nitric acid, propyl ester + Water

By formula: C3H8O + HNO3 = C3H7NO3 + H2O

Quantity Value Units Method Reference Comment
Δr-5.21kcal/molEqkRubtsov, 1986liquid phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, 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

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman

Quantity Value Units Method Reference Comment
Proton affinity (review)179.6kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity174.8kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.57 ± 0.15NBIEMathur, Rothe, et al., 1976B
0.56 ± 0.17EndoPaulson and Dale, 1982B

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
160.2Bernardi, Cacace, et al., 1998PA at NO+ binding site, estimated from correlation of PAs with NO+ binding energies; MM

Ionization energy determinations

IE (eV) Method Reference Comment
11.95 ± 0.01PELloyd, Roberts, et al., 1975LLK
11.96PEFrost, Lee, et al., 1975LLK
11.03 ± 0.01PINicholson, 1965RDSH
12.2PEAmes and Turner, 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
OH+16.6NO2PIJochims, Denzer, et al., 1992LL
NO+13.07?PIJochims, Denzer, et al., 1992LL
NO2+11.90OHPIJochims, Denzer, et al., 1992LL

De-protonation reactions

NO3 anion + Hydrogen cation = Nitric acid

By formula: NO3- + H+ = HNO3

Quantity Value Units Method Reference Comment
Δr324.50 ± 0.20kcal/molTDEqDavidson, Fehsenfeld, et al., 1977gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B
Δr329.9 ± 4.8kcal/molNBAEMathur, Rothe, et al., 1976gas phase; From HNO3; B
Δr329.1 ± 5.8kcal/molEndoRefaey and Franklin, 1976gas phase; I- + HNO3 ->.; B
Δr324.50 ± 0.50kcal/molTDEqFerguson, Dunkin, et al., 1972gas phase; B
Δr356.30kcal/molEndoBerkowitz, Chupka, et al., 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr317.80 ± 0.20kcal/molTDEqDavidson, Fehsenfeld, et al., 1977gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Bromine anion + Nitric acid = (Bromine anion • Nitric acid)

By formula: Br- + HNO3 = (Br- • HNO3)

Quantity Value Units Method Reference Comment
Δr20.0kcal/molFADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M
Quantity Value Units Method Reference Comment
Δr18.5cal/mol*KFADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
13.4367.FADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M

(Bromine anion • Nitric acid) + Nitric acid = (Bromine anion • 2Nitric acid)

By formula: (Br- • HNO3) + HNO3 = (Br- • 2HNO3)

Quantity Value Units Method Reference Comment
Δr18.1kcal/molFADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KN/ADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr11.1kcal/molFADavidson, Fehsenfeld, et al., 1977gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M

(HO4S- • Nitric acid) + Nitric acid = (HO4S- • 2Nitric acid)

By formula: (HO4S- • HNO3) + HNO3 = (HO4S- • 2HNO3)

Quantity Value Units Method Reference Comment
Δr18.4kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
12.6233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(HO4S- • 2Sulfuric Acid) + Nitric acid = (HO4S- • Nitric acid • 2Sulfuric Acid)

By formula: (HO4S- • 2H2O4S) + HNO3 = (HO4S- • HNO3 • 2H2O4S)

Quantity Value Units Method Reference Comment
Δr15.9kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.3233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(HO4S- • 3Sulfuric Acid) + Nitric acid = (HO4S- • Nitric acid • 3Sulfuric Acid)

By formula: (HO4S- • 3H2O4S) + HNO3 = (HO4S- • HNO3 • 3H2O4S)

Quantity Value Units Method Reference Comment
Δr16.9kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
11.1233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(NO3 anion • Hydrogen bromide) + Nitric acid = (NO3 anion • Nitric acid • Hydrogen bromide)

By formula: (NO3- • HBr) + HNO3 = (NO3- • HNO3 • HBr)

Quantity Value Units Method Reference Comment
Δr16.0 ± 2.0kcal/molTDEqDavidson, Fehsenfeld, et al., 1977gas phase; B
Quantity Value Units Method Reference Comment
Δr9.6 ± 2.8kcal/molTDEqDavidson, Fehsenfeld, et al., 1977gas phase; B

NO3 anion + Nitric acid = (NO3 anion • Nitric acid)

By formula: NO3- + HNO3 = (NO3- • HNO3)

Quantity Value Units Method Reference Comment
Δr24.cal/mol*KN/ADavidson, Fehsenfeld, et al., 1977gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M

(NO3 anion • Nitric acid) + Nitric acid = (NO3 anion • 2Nitric acid)

By formula: (NO3- • HNO3) + HNO3 = (NO3- • 2HNO3)

Quantity Value Units Method Reference Comment
Δr18.3 ± 1.0kcal/molTDAsDavidson, Fehsenfeld, et al., 1977gas phase; B,M
Δr16.00 ± 0.80kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B,M
Δr18.4kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Δr17.7kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Δr20.0kcal/molATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Δr22.1cal/mol*KFADavidson, Fehsenfeld, et al., 1977gas phase; M
Δr25.cal/mol*KN/AArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Δr23.1cal/mol*KHPMSWlodek, Luczynski, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr11.7 ± 2.2kcal/molTDAsDavidson, Fehsenfeld, et al., 1977gas phase; B,M
Δr9.00 ± 0.30kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
12.6233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
13.8250.ATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M

(NO3 anion • 2Nitric acid) + Nitric acid = (NO3 anion • 3Nitric acid)

By formula: (NO3- • 2HNO3) + HNO3 = (NO3- • 3HNO3)

Quantity Value Units Method Reference Comment
Δr16.1 ± 1.0kcal/molTDAsDavidson, Fehsenfeld, et al., 1977gas phase; B,M
Δr13.9 ± 1.4kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B,M
Δr16.0kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Δr16.0kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Δr28.9cal/mol*KFADavidson, Fehsenfeld, et al., 1977gas phase; M
Δr26.7cal/mol*KHPMSWlodek, Luczynski, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr7.4 ± 2.2kcal/molTDAsDavidson, Fehsenfeld, et al., 1977gas phase; B
Δr5.90 ± 0.40kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B
Δr6.9kcal/molFAFehsenfeld, Howard, et al., 1975gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.2233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(NO3 anion • 3Nitric acid) + Nitric acid = (NO3 anion • 4Nitric acid)

By formula: (NO3- • 3HNO3) + HNO3 = (NO3- • 4HNO3)

Quantity Value Units Method Reference Comment
Δr9.3 ± 1.3kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.9cal/mol*KHPMSWlodek, Luczynski, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr3.20 ± 0.40kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B
Δr6.9 ± 1.0kcal/molIMREFehsenfeld, Howard, et al., 1975gas phase; B

(NO3 anion • 4Nitric acid) + Nitric acid = (NO3 anion • 5Nitric acid)

By formula: (NO3- • 4HNO3) + HNO3 = (NO3- • 5HNO3)

Quantity Value Units Method Reference Comment
Δr7.4 ± 1.2kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.6cal/mol*KHPMSWlodek, Luczynski, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr1.9 ± 1.0kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B

(NO3 anion • 5Nitric acid) + Nitric acid = (NO3 anion • 6Nitric acid)

By formula: (NO3- • 5HNO3) + HNO3 = (NO3- • 6HNO3)

Quantity Value Units Method Reference Comment
Δr4.60 ± 0.90kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr7.3cal/mol*KHPMSWlodek, Luczynski, et al., 1980gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr2.40 ± 0.70kcal/molTDAsWlodek, Luczynski, et al., 1980gas phase; B

Sodium ion (1+) + Nitric acid = (Sodium ion (1+) • Nitric acid)

By formula: Na+ + HNO3 = (Na+ • HNO3)

Quantity Value Units Method Reference Comment
Δr20.6kcal/molFAPerry, Rowe, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KFAPerry, Rowe, et al., 1980gas phase; M

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson


References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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]

Holeci, 1966
Holeci, I., Chem. Prum., 1966, 16, 5, 267. [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]

Wlodek, Luczynski, et al., 1980
Wlodek, S.; Luczynski, Z.; Wincel, H., Stabilities of gas-phase NO3-.(HNO3)n,n ≤ 6, clusters, Int. J. Mass Spectrom. Ion Phys., 1980, 35, 39. [all data]

Arnold, Viggiano, et al., 1982
Arnold, F.; Viggiano, A.A.; Schlager, H., Implications for Trace Gases and Aerosols of Large Negative Ions Clusters in the Stratosphere, Nature, 1982, 297, 5865, 371, https://doi.org/10.1038/297371a0 . [all data]

Lee, Keesee, et al., 1980
Lee, N.; Keesee, R.G.; Castleman, A.W., Jr., The properties of clusters in the gas phase. IV. Complexes of H2O and HNOx clustering on NOx-, J. Chem. Phys., 1980, 72, 1089. [all data]

Arnold and Qiu, 1984
Arnold, F.; Qiu, S., Upper Stratosphere Negative Ion Composition Measurements and Infrared Trace Gas Abundances, Planet. Space Sci., 1984, 32, 2, 169, https://doi.org/10.1016/0032-0633(84)90151-X . [all data]

Fehsenfeld, Howard, et al., 1975
Fehsenfeld, F.C.; Howard, C.J.; Schmeltkopf, A.L., Gas Phase Ion Chemistry of HNO3, J. Chem. Phys., 1975, 63, 7, 2835, https://doi.org/10.1063/1.431722 . [all data]

Mathur, Rothe, et al., 1976
Mathur, B.P.; Rothe, E.W.; Tang, S.Y.; Mahajan, K.; Reck, G.P., Negative gaseous ions from nitric acid, J. Chem. Phys., 1976, 64, 1247. [all data]

Refaey and Franklin, 1976
Refaey, K.M.A.; Franklin, J.L., Endoergic ion-molecule-collision processes of negative ions. V. Collision of I- on HNO3. The electron affinity of NO3, J. Chem. Phys., 1976, 64, 4810. [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]

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]

Kazakov, Kirpichev, et al., 1990
Kazakov, A.I.; Kirpichev, E.P.; Lagodzinskaya, G.V.; Andrienko, L.P.; Yunda, N.G.; Korolev, A.M.; Rubstov, Yu.I.; Manelis, G.B.; Eremenko, L.T., Study of nitration equilibrium in the glycerin-aqueous nitric acid system. 2. Changes in ΔH and ΔS in the nitration reaction, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1990, 1565-1570. [all data]

Kazakov, Lagodzinskaya, et al., 1989
Kazakov, A.I.; Lagodzinskaya, E.P.; Kirpichev, E.P.; Andrienko, L.P.; Yunda, N.G.; Korolev, A.M.; Robtsov, Yu.I.; Manelis, G.V.; Eremenko, L.T., Thermodynamics of nitration of glycerol, Dokl. Phys. Chem. (Engl. Transl.), 1989, 305, 287-291. [all data]

Tsvetkov, Sopin, et al., 1986
Tsvetkov, V.G.; Sopin, V.P.; Tsvetkova, L.Ya.; Marchenko, G.N., Enthalpy of reaction of nitric acid with some organic compounds, J. Gen. Chem. USSR, 1986, 56, 471-474. [all data]

Perry, Rowe, et al., 1980
Perry, R.A.; Rowe, B.R.; Viggiano, A.A.; Albritton, D.L.; Ferguson, E.E.; Fehsenfeld, F.C., Laboratory Measurements of Stratospheric Sodium Ion Measurements, Geophys. Res. Lett., 1980, 7, 9, 693, https://doi.org/10.1029/GL007i009p00693 . [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]

Tsvetkov, Shmakov, et al., 1989
Tsvetkov, V.G.; Shmakov, V.A.; Sopin, V.F.; Ivanov, A.V.; Ikonnikov, A.A.; Marchenko, G.N., Enthalpies of reaction of nitric acid with acetic and trifluoroacetic anhydrides, J. Gen. Chem. USSR, 1989, 59, 1220-1222. [all data]

Rubtsov, 1986
Rubtsov, Yu.I., Thermodynamic calculation of equilibrium in nitration of alcohols, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1986, 19-22. [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]

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Paulson, J.F.; Dale, J., Reactions of OH-.H2O with NO2, J. Chem. Phys., 1982, 77, 4006. [all data]

Bernardi, Cacace, et al., 1998
Bernardi, F.; Cacace, F.; de Petris, G.; Pepi, F.; Rossi, I., Gaseous [N2O5]H+, [N2O4]H+, and related species from the addition of NO2+ and NO+ ions to nitric acid and its derivatives, J. Phys. Chem. A, 1998, 102, 1987. [all data]

Lloyd, Roberts, et al., 1975
Lloyd, D.R.; Roberts, P.J.; Hillier, I.H., Electronic structure of nitric acid studied by photoelectron spectroscopy and molecular orbital calculation, J. Chem. Soc. Faraday Trans. 2, 1975, 71, 496. [all data]

Frost, Lee, et al., 1975
Frost, D.C.; Lee, S.T.; McDowell, C.A.; Westwood, N.P.C., Photoelectron spectroscopic studies of some nitrosyl and nitryl halides nitric acid, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 331. [all data]

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Nicholson, A.J.C., Photoionization-efficiency curves. II. False and genuine structure, J. Chem. Phys., 1965, 43, 1171. [all data]

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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]

Jochims, Denzer, et al., 1992
Jochims, H.-W.; Denzer, W.; Baumgartel, H.; Losking, O.; Willner, H., Photochemical decay reactions of N2O5, HNO3, ClNO3 and BrNO3 in the energy range 10-20 eV, Ber. Bunsen-Ges. Phys. Chem., 1992, 96, 573. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, References