Nitric acid
- Formula: HNO3
- Molecular weight: 63.0128
- IUPAC Standard InChIKey: GRYLNZFGIOXLOG-UHFFFAOYSA-N
- CAS Registry Number: 7697-37-2
- Chemical structure:
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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 |
---|---|---|---|---|---|
ΔfH°gas | -32.101 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1963 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 63.669 | cal/mol*K | Review | Chase, 1998 | Data 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 | 4.692230 | 23.29340 |
B | 36.79730 | 1.297701 |
C | -27.68590 | -0.246101 |
D | 7.858402 | 0.016241 |
E | -0.059540 | -2.938131 |
F | -35.10559 | -46.00650 |
G | 59.20289 | 82.17139 |
H | -32.09990 | -32.09990 |
Reference | Chase, 1998 | Chase, 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 |
---|---|---|---|
9.23 | 312. | Holeci, 1966 | Based 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
By formula: (NO3- • HNO3) + HNO3 = (NO3- • 2HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.3 ± 1.0 | kcal/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B,M |
ΔrH° | 16.00 ± 0.80 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
ΔrH° | 18.4 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 17.7 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
ΔrH° | 20.0 | kcal/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 22.1 | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; M |
ΔrS° | 25. | cal/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 23.1 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.7 ± 2.2 | kcal/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B,M |
ΔrG° | 9.00 ± 0.30 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.6 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
13.8 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: (NO3- • 2HNO3) + HNO3 = (NO3- • 3HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.1 ± 1.0 | kcal/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B,M |
ΔrH° | 13.9 ± 1.4 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
ΔrH° | 16.0 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 16.0 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 28.9 | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; M |
ΔrS° | 26.7 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.4 ± 2.2 | kcal/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
ΔrG° | 5.90 ± 0.40 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
ΔrG° | 6.9 | kcal/mol | FA | Fehsenfeld, Howard, et al., 1975 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.2 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 324.50 ± 0.20 | kcal/mol | TDEq | 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° | 329.9 ± 4.8 | kcal/mol | NBAE | Mathur, Rothe, et al., 1976 | gas phase; From HNO3; B |
ΔrH° | 329.1 ± 5.8 | kcal/mol | Endo | Refaey and Franklin, 1976 | gas phase; I- + HNO3 ->.; B |
ΔrH° | 324.50 ± 0.50 | kcal/mol | TDEq | Ferguson, Dunkin, et al., 1972 | gas phase; B |
ΔrH° | 356.30 | kcal/mol | Endo | Berkowitz, Chupka, et al., 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 317.80 ± 0.20 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B |
By formula: (Br- • HNO3) + HNO3 = (Br- • 2HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.1 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.6 | cal/mol*K | N/A | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.1 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M |
By formula: Br- + HNO3 = (Br- • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.0 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.5 | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13.4 | 367. | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M |
By formula: (NO3- • HNO3) + H2O = (NO3- • H2O • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.3 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 2H2O4S) + HNO3 = (HO4S- • HNO3 • 2H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.9 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.3 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 3H2O4S) + HNO3 = (HO4S- • HNO3 • 3H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.9 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
11.1 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
(HO4S- • ) + HO3S = (HO4S- • HO3S • )
By formula: (HO4S- • HNO3) + HO3S = (HO4S- • HO3S • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.7 | kcal/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.5 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • HNO3) + H2O = (HO4S- • H2O • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.2 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • HNO3) + HNO3 = (HO4S- • 2HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.4 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.6 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (NO3- • 3HNO3) + HNO3 = (NO3- • 4HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.3 ± 1.3 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.9 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.20 ± 0.40 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
ΔrG° | 6.9 ± 1.0 | kcal/mol | IMRE | Fehsenfeld, Howard, et al., 1975 | gas phase; B |
By formula: (NO3- • HNO3) + HBr = (NO3- • HBr • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)2HNO3; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)2HNO3; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.2 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)2HNO3; M |
By formula: (NO3- • 5HNO3) + HNO3 = (NO3- • 6HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.60 ± 0.90 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 7.3 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.40 ± 0.70 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
By formula: (NO3- • 4HNO3) + HNO3 = (NO3- • 5HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 ± 1.2 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.6 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.9 ± 1.0 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
By formula: (NO3- • HBr) + HNO3 = (NO3- • HNO3 • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 ± 2.0 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 2.8 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
By formula: C3H6N2O7 + HNO3 = C3H5N3O9 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.4 ± 0.3 | kcal/mol | Eqk | Kazakov, Kirpichev, et al., 1990 | liquid phase; Heat of nitration; ALS |
ΔrH° | -1.3 ± 0.3 | kcal/mol | Cm | Kazakov, Lagodzinskaya, et al., 1989 | liquid phase; ALS |
By formula: C3H8O3 + HNO3 = C3H7NO5 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -4.5 ± 0.5 | kcal/mol | Eqk | Kazakov, Kirpichev, et al., 1990 | liquid phase; Heat of Nitration; ALS |
ΔrH° | -2.39 | kcal/mol | Cm | Tsvetkov, Sopin, et al., 1986 | liquid phase; ALS |
By formula: NO3- + HNO3 = (NO3- • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 24. | cal/mol*K | N/A | Davidson, Fehsenfeld, et al., 1977 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
By formula: Na+ + HNO3 = (Na+ • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 | kcal/mol | FA | Perry, Rowe, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | FA | Perry, Rowe, et al., 1980 | gas phase; M |
By formula: C3H7NO5 + HNO3 = C3H6N2O7 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.7 ± 0.7 | kcal/mol | Eqk | Kazakov, Kirpichev, et al., 1990 | liquid phase; Heat of nitration; ALS |
By formula: C3H8O3 + HNO3 = C3H7NO5 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.5 ± 0.6 | kcal/mol | Eqk | Kazakov, Kirpichev, et al., 1990 | liquid phase; Heat of nitration; ALS |
By formula: C3H6N2O7 + H2O = C3H7NO5 + HNO3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.7 ± 0.6 | kcal/mol | Eqk | Kazakov, Kirpichev, et al., 1990 | liquid phase; Heat of nitration; ALS |
By formula: C3H6N2O7 + HNO3 = C3H5N3O9 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.5 ± 0.3 | kcal/mol | Eqk | Kazakov, Kirpichev, et al., 1990 | liquid phase; Heat of nitration; ALS |
By formula: C3H7NO5 + 2HNO3 = C3H5N3O9 + 2H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -4.2 ± 0.3 | kcal/mol | Cm | Kazakov, Lagodzinskaya, et al., 1989 | liquid phase; ALS |
By formula: C3H8O3 + 3HNO3 = C3H5N3O9 + 3H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -8.7 ± 0.4 | kcal/mol | Cm | Kazakov, Lagodzinskaya, et al., 1989 | liquid phase; ALS |
By formula: C4H10O3 + HNO3 = C4H9NO5 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.70 | kcal/mol | Cm | Tsvetkov, Sopin, et al., 1986 | liquid phase; ALS |
By formula: CH3NO2 + HNO3 = 2NO2 + CH4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.89 | kcal/mol | Eqk | Silverwood and Thomas, 1967 | gas phase; ALS |
+ = C2F3NO4 +
By formula: C4F6O3 + HNO3 = C2F3NO4 + C2HF3O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.60 | kcal/mol | Cm | Tsvetkov, Shmakov, et al., 1989 | liquid phase; ALS |
+ = C5H11NO6 +
By formula: C5H12O4 + HNO3 = C5H11NO6 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.70 | kcal/mol | Cm | Tsvetkov, Sopin, et al., 1986 | liquid phase; ALS |
By formula: C2H6O2 + HNO3 = C2H5NO4 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.9 | kcal/mol | Cm | Tsvetkov, Sopin, et al., 1986 | liquid phase; ALS |
By formula: C4H10O3 + HNO3 = C4H9NO5 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.1 | kcal/mol | Cm | Tsvetkov, Sopin, et al., 1986 | liquid phase; ALS |
By formula: C2H3NO4 + C2H4O2 = C4H6O3 + HNO3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.99 | kcal/mol | Cm | Tsvetkov, Shmakov, et al., 1989 | liquid phase; ALS |
By formula: C3H8O + HNO3 = C3H7NO3 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -5.59 | kcal/mol | Eqk | Rubtsov, 1986 | liquid phase; ALS |
By formula: CH4O + HNO3 = CH3NO3 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.60 | kcal/mol | Eqk | Rubtsov, 1986 | liquid phase; ALS |
By formula: C2H6O + HNO3 = C2H5NO3 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.00 | kcal/mol | Eqk | Rubtsov, 1986 | liquid phase; ALS |
By formula: C3H8O + HNO3 = C3H7NO3 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -5.21 | kcal/mol | Eqk | Rubtsov, 1986 | liquid 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) | 179.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 174.8 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.57 ± 0.15 | NBIE | Mathur, Rothe, et al., 1976 | B |
0.56 ± 0.17 | Endo | Paulson and Dale, 1982 | B |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
160.2 | Bernardi, Cacace, et al., 1998 | PA at NO+ binding site, estimated from correlation of PAs with NO+ binding energies; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.95 ± 0.01 | PE | Lloyd, Roberts, et al., 1975 | LLK |
11.96 | PE | Frost, Lee, et al., 1975 | LLK |
11.03 ± 0.01 | PI | Nicholson, 1965 | RDSH |
12.2 | PE | Ames and Turner, 1976 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
OH+ | 16.6 | NO2 | PI | Jochims, Denzer, et al., 1992 | LL |
NO+ | 13.07 | ? | PI | Jochims, Denzer, et al., 1992 | LL |
NO2+ | 11.90 | OH | PI | Jochims, Denzer, et al., 1992 | LL |
De-protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 324.50 ± 0.20 | kcal/mol | TDEq | 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° | 329.9 ± 4.8 | kcal/mol | NBAE | Mathur, Rothe, et al., 1976 | gas phase; From HNO3; B |
ΔrH° | 329.1 ± 5.8 | kcal/mol | Endo | Refaey and Franklin, 1976 | gas phase; I- + HNO3 ->.; B |
ΔrH° | 324.50 ± 0.50 | kcal/mol | TDEq | Ferguson, Dunkin, et al., 1972 | gas phase; B |
ΔrH° | 356.30 | kcal/mol | Endo | Berkowitz, Chupka, et al., 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 317.80 ± 0.20 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas 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
By formula: Br- + HNO3 = (Br- • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.0 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.5 | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13.4 | 367. | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), ΔrH>; M |
By formula: (Br- • HNO3) + HNO3 = (Br- • 2HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.1 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.6 | cal/mol*K | N/A | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.1 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M |
By formula: (HO4S- • HNO3) + HNO3 = (HO4S- • 2HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.4 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.6 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 2H2O4S) + HNO3 = (HO4S- • HNO3 • 2H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.9 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.3 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 3H2O4S) + HNO3 = (HO4S- • HNO3 • 3H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.9 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
11.1 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (NO3- • HBr) + HNO3 = (NO3- • HNO3 • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 ± 2.0 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 2.8 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
By formula: NO3- + HNO3 = (NO3- • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 24. | cal/mol*K | N/A | Davidson, Fehsenfeld, et al., 1977 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
By formula: (NO3- • HNO3) + HNO3 = (NO3- • 2HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.3 ± 1.0 | kcal/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B,M |
ΔrH° | 16.00 ± 0.80 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
ΔrH° | 18.4 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 17.7 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
ΔrH° | 20.0 | kcal/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 22.1 | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; M |
ΔrS° | 25. | cal/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 23.1 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.7 ± 2.2 | kcal/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B,M |
ΔrG° | 9.00 ± 0.30 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.6 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
13.8 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: (NO3- • 2HNO3) + HNO3 = (NO3- • 3HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.1 ± 1.0 | kcal/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B,M |
ΔrH° | 13.9 ± 1.4 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
ΔrH° | 16.0 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 16.0 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 28.9 | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; M |
ΔrS° | 26.7 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.4 ± 2.2 | kcal/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
ΔrG° | 5.90 ± 0.40 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
ΔrG° | 6.9 | kcal/mol | FA | Fehsenfeld, Howard, et al., 1975 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.2 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (NO3- • 3HNO3) + HNO3 = (NO3- • 4HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.3 ± 1.3 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.9 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.20 ± 0.40 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
ΔrG° | 6.9 ± 1.0 | kcal/mol | IMRE | Fehsenfeld, Howard, et al., 1975 | gas phase; B |
By formula: (NO3- • 4HNO3) + HNO3 = (NO3- • 5HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 ± 1.2 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.6 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.9 ± 1.0 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
By formula: (NO3- • 5HNO3) + HNO3 = (NO3- • 6HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.60 ± 0.90 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 7.3 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.40 ± 0.70 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
By formula: Na+ + HNO3 = (Na+ • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 | kcal/mol | FA | Perry, Rowe, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | FA | Perry, Rowe, et al., 1980 | gas 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
- liquid; Bruker Tensor 37 FTIR
0.48208331, 0.48208331, 0.48208331 cm-1 resolution
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
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Endoergic ion-molecule-collision processes of negative ions. V. Collision of I- on HNO3. The electron affinity of NO3,
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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
- Symbols used in this document:
AE Appearance energy EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature 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 ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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