Nitric acid

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Gas phase thermochemistry data

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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-134.31kJ/molReviewChase, 1998Data last reviewed in June, 1963
Quantity Value Units Method Reference Comment
gas,1 bar266.39J/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 (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 19.6322997.45959
B 153.95995.429577
C -115.8378-1.029688
D 32.879550.067950
E -0.249114-12.29314
F -146.8818-192.4912
G 247.7049343.8051
H -134.3060-134.3060
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1963 Data last reviewed in June, 1963

Phase change data

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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 (kJ/mol) Temperature (K) Reference Comment
38.6312.Holeci, 1966Based on data from 273. to 356. K.

Henry's Law data

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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
210000.8700.RN/A missing citation assume the temperature dependence to be the same as for a(H+) a(NO3-) / p(HNO3) in missing citation.
2.4×10+6/KA8700.TN/AFor strong acids, the solubility is often expressed as kH = ([H+] * [A-]) / p(HA). To obtain the physical solubility of HA, the value has to be divided by the acidity constant KA. missing citation corrects erroneous data from missing citation.
2.6×10+68700.TN/A 
350000./KA8700.QN/AFor strong acids, the solubility is often expressed as kH = ([H+] * [A-]) / p(HA). To obtain the physical solubility of HA, the value has to be divided by the acidity constant KA. missing citation refer to several references in their list of Henry's law constants but they don't assign them to specific species.
89000. CN/A 
210000. TN/A 

Gas phase ion energetics data

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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)751.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity731.5kJ/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 (kJ/mol) Reference Comment
670.3Bernardi, 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
Δr1357.7 ± 0.84kJ/molTDEqDavidson, Fehsenfeld, et al., 1977gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B
Δr1380. ± 20.kJ/molNBAEMathur, Rothe, et al., 1976gas phase; From HNO3; B
Δr1377. ± 24.kJ/molEndoRefaey and Franklin, 1976gas phase; I- + HNO3 ->.; B
Δr1357.7 ± 2.1kJ/molTDEqFerguson, Dunkin, et al., 1972gas phase; B
Δr1490.8kJ/molEndoBerkowitz, Chupka, et al., 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr1329.7 ± 0.84kJ/molTDEqDavidson, Fehsenfeld, et al., 1977gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B

References

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

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]

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]

Paulson and Dale, 1982
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]

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

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]

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]

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]


Notes

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