Nitrogen oxide anion
- Formula: NO2-
- Molecular weight: 46.0060
- IUPAC Standard InChI: InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
- IUPAC Standard InChIKey: IOVCWXUNBOPUCH-UHFFFAOYSA-M
- CAS Registry Number: 14797-65-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, 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 |
|---|---|---|---|---|---|
| S°gas,1 bar | 56.549 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1972 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, 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
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: NO2- + H2O = (NO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16. ± 4. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| ΔrS° | 20.0 | cal/mol*K | FA | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO2-)H2O; Lee, Keesee, et al., 1980; M |
| ΔrS° | 23.8 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
| ΔrS° | 21. | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.50 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 8.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
| ΔrG° | 8.1 ± 5.8 | kcal/mol | Endo | Paulson and Dale, 1982 | gas phase; B |
| ΔrG° | 8.10 ± 0.20 | kcal/mol | TDAs | Lee, Keesee, et al., 1980 | gas phase; B |
| ΔrG° | 8.00 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 8.0 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
| 8.4 | 300. | SAMS | Payzant, Cunningham, et al., 1972 | gas phase; M |
( •
) +
= (
• 2
)
By formula: (NO2- • H2O) + H2O = (NO2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.0 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
| ΔrH° | 12.9 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
| ΔrH° | 12.9 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
| ΔrH° | 13.6 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.4 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
| ΔrS° | 23.7 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
| ΔrG° | 5.8 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
| ΔrG° | 5.80 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
| ΔrG° | 6.1 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 5.9 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
| 5.8 | 300. | SAMS | Payzant, Cunningham, et al., 1972 | gas phase; M |
( • 2
) +
= (
• 3
)
By formula: (NO2- • 2H2O) + H2O = (NO2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.5 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
| ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
| ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
| ΔrH° | 11.7 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.8 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
| ΔrS° | 21.2 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
| ΔrG° | 4.0 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
| ΔrG° | 4.10 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
| ΔrG° | 4.5 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
+
= (
•
)
By formula: NO2- + O2S = (NO2- • O2S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 25.90 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
| ΔrH° | 24.3 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 36.8 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
| ΔrS° | 31.6 | cal/mol*K | N/A | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO2-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.90 ± 0.30 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
+
= (
•
)
By formula: NO2- + CO2 = (NO2- • CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.30 ± 0.20 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| ΔrH° | 9.30 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17.2 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| ΔrS° | 24.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.1 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
| ΔrG° | 2.00 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
+
= (
•
)
By formula: NO2- + C2H6OS = (NO2- • C2H6OS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 19.2 ± 1.0 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25. | cal/mol*K | N/A | Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.7 ± 1.0 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 8.7 | 420. | PHPMS | Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
( •
) +
= (
• 2
)
By formula: (NO2- • O2S) + O2S = (NO2- • 2O2S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.00 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
| ΔrH° | 9.8 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.5 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; M |
| ΔrS° | 16.8 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.00 ± 0.40 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
+
= (
•
)
By formula: NO2- + CH3NO2 = (NO2- • CH3NO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.50 ± 0.50 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
| ΔrH° | 14.30 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15.5 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.80 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
| ΔrG° | 9.70 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
( • 4294967295
) +
=
By formula: (NO2- • 4294967295NO2) + NO2 = NO2-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 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 |
| ΔrH° | <46.10 | kcal/mol | PDis | Smith, Lee, et al., 1979 | gas phase; Isomer: O4- + NO ->.; B |
| ΔrH° | 66.0 ± 5.0 | kcal/mol | PDis | Smith, Lee, et al., 1978 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (NO2- • 2O2S) + O2S = (NO2- • 3O2S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.60 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 13.4 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.60 ± 0.80 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
+
= (
•
)
By formula: NO2- + H2O2 = (NO2- • H2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.2 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.3 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980; B |
( • 2
) +
= (
• 3
)
By formula: (NO2- • 2CO2) + CO2 = (NO2- • 3CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.3 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -0.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (NO2- • 3CO2) + CO2 = (NO2- • 4CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.9 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -1.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
( • 4
) +
= (
• 5
)
By formula: (NO2- • 4CO2) + CO2 = (NO2- • 5CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.3 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -1.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
( • 5
) +
= (
• 6
)
By formula: (NO2- • 5CO2) + CO2 = (NO2- • 6CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.1 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -2.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
( • 6
) +
= (
• 7
)
By formula: (NO2- • 6CO2) + CO2 = (NO2- • 7CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -2.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
( • 7
) +
= (
• 8
)
By formula: (NO2- • 7CO2) + CO2 = (NO2- • 8CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -2.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (NO2- • CO2) + CO2 = (NO2- • 2CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.0 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
+
= (
•
)
By formula: NO2- + C2H5NO3 = (NO2- • C2H5NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.9 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; switching reaction(NO2-)SO2; Keesee, Lee, et al., 1980; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 35.3 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; switching reaction(NO2-)SO2; Keesee, Lee, et al., 1980; M |
+
= (
•
)
By formula: NO2- + C7H3N3O4 = (NO2- • C7H3N3O4)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 23.5 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.7 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 16.4 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
= (
•
)
By formula: NO2- + C7H4N2O2 = (NO2- • C7H4N2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.0 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.0 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.0 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
= (
•
)
By formula: NO2- + C7H4N2O2 = (NO2- • C7H4N2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.8 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.5 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 12.4 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
= (
•
)
By formula: NO2- + C6H4FNO2 = (NO2- • C6H4FNO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.0 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.6 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.1 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
= (
•
)
By formula: NO2- + C6H4N2O4 = (NO2- • C6H4N2O4)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 21.2 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.6 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.4 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
= (
•
)
By formula: NO2- + C6H5NO2 = (NO2- • C6H5NO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.2 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17.5 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.9 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
= (
•
)
By formula: NO2- + C4H10O = (NO2- • C4H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 19.60 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29.5 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.80 ± 0.30 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
+
= (
•
)
By formula: NO2- + CH4O = (NO2- • CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.40 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.8 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.70 ± 0.40 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
+
= (
•
)
By formula: NO2- + C3H6O = (NO2- • C3H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.90 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.9 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.20 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
+
= (
•
)
By formula: NO2- + C2H3N = (NO2- • C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.40 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.80 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
+
= (
•
)
By formula: NO2- + H2Se = (NO2- • H2Se)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.9 ± 1.0 | kcal/mol | TDEq | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Equilibration with SO2..NO2-; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.3 ± 3.5 | kcal/mol | TDEq | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Equilibration with SO2..NO2-; B |
( •
) +
= (
•
•
)
By formula: (NO2- • O2S) + C2H5NO3 = (NO2- • C2H5NO3 • O2S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.4 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 10.4 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; Entropy change is questionable; M |
( • 2
) +
= (
• 3
)
By formula: (NO2- • 2C2H5NO3) + C2H5NO3 = (NO2- • 3C2H5NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.3 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 14.1 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Entropy change is questionable; M |
( •
) +
= (
• 2
)
By formula: (NO2- • C2H5NO3) + C2H5NO3 = (NO2- • 2C2H5NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.5 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 12.8 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Entropy change is questionable; M |
( • 2
) +
= (
• 3
)
By formula: (NO2- • 2H2Se) + H2Se = (NO2- • 3H2Se)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.30 ± 0.70 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983, 2 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.10 ± 0.50 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983, 2 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (NO2- • H2Se) + H2Se = (NO2- • 2H2Se)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.50 ± 0.50 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983, 2 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.70 ± 0.30 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983, 2 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (NO2- • 3H2O) + H2O = (NO2- • 4H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.6 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29.0 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
+
= (
•
)
By formula: NO2- + C7H7NO3 = (NO2- • C7H7NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.5 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 12.6 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 340.23 ± 0.21 | kcal/mol | D-EA | Ervin, Ho, et al., 1988 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 333.73 ± 0.31 | kcal/mol | H-TS | Ervin, Ho, et al., 1988 | gas phase; B |
+
= C2H5N2O4-
By formula: NO2- + C2H5NO2 = C2H5N2O4-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.80 ± 0.50 | kcal/mol | TDAs | Wincel, 2004 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.90 | kcal/mol | TDAs | Wincel, 2004 | gas phase; B |
+
= (
•
)
By formula: NO2- + C7H7NO3 = (NO2- • C7H7NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.5 | kcal/mol | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.3 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
+
= (
•
)
By formula: NO2- + HNO2 = (NO2- • HNO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.5 ± 1.0 | kcal/mol | TDAs | Lee, Keesee, et al., 1980 | gas phase; B |
+
= C4H8NO4-
By formula: NO2- + C4H8O2 = C4H8NO4-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 13.30 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
+
= C3H6NO4-
By formula: NO2- + C3H6O2 = C3H6NO4-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 12.50 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
+
= C2H4NO4-
By formula: NO2- + C2H4O2 = C2H4NO4-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 12.20 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 1998 | gas phase; B |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, 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: John E. Bartmess
Protonation reactions
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 340.23 ± 0.21 | kcal/mol | D-EA | Ervin, Ho, et al., 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 333.73 ± 0.31 | kcal/mol | H-TS | Ervin, Ho, et al., 1988 | gas phase |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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
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: NO2- + CH3NO2 = (NO2- • CH3NO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.50 ± 0.50 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
| ΔrH° | 14.30 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15.5 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.80 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
| ΔrG° | 9.70 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
+
= (
•
)
By formula: NO2- + CH4O = (NO2- • CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.40 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.8 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.70 ± 0.40 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
+
= (
•
)
By formula: NO2- + CO2 = (NO2- • CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.30 ± 0.20 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| ΔrH° | 9.30 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17.2 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| ΔrS° | 24.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.1 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
| ΔrG° | 2.00 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (NO2- • CO2) + CO2 = (NO2- • 2CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.0 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (NO2- • 2CO2) + CO2 = (NO2- • 3CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.3 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -0.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (NO2- • 3CO2) + CO2 = (NO2- • 4CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.9 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -1.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
( • 4
) +
= (
• 5
)
By formula: (NO2- • 4CO2) + CO2 = (NO2- • 5CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.3 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -1.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
( • 5
) +
= (
• 6
)
By formula: (NO2- • 5CO2) + CO2 = (NO2- • 6CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.1 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -2.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
( • 6
) +
= (
• 7
)
By formula: (NO2- • 6CO2) + CO2 = (NO2- • 7CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -2.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
( • 7
) +
= (
• 8
)
By formula: (NO2- • 7CO2) + CO2 = (NO2- • 8CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -2.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
+
= (
•
)
By formula: NO2- + C2H3N = (NO2- • C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.40 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.80 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
+
= C2H4NO4-
By formula: NO2- + C2H4O2 = C2H4NO4-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 12.20 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 1998 | gas phase; B |
+
= C2H5N2O4-
By formula: NO2- + C2H5NO2 = C2H5N2O4-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.80 ± 0.50 | kcal/mol | TDAs | Wincel, 2004 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.90 | kcal/mol | TDAs | Wincel, 2004 | gas phase; B |
+
= (
•
)
By formula: NO2- + C2H5NO3 = (NO2- • C2H5NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.9 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; switching reaction(NO2-)SO2; Keesee, Lee, et al., 1980; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 35.3 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; switching reaction(NO2-)SO2; Keesee, Lee, et al., 1980; M |
( •
) +
= (
• 2
)
By formula: (NO2- • C2H5NO3) + C2H5NO3 = (NO2- • 2C2H5NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.5 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 12.8 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Entropy change is questionable; M |
( • 2
) +
= (
• 3
)
By formula: (NO2- • 2C2H5NO3) + C2H5NO3 = (NO2- • 3C2H5NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.3 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 14.1 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Entropy change is questionable; M |
+
= (
•
)
By formula: NO2- + C2H6OS = (NO2- • C2H6OS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 19.2 ± 1.0 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25. | cal/mol*K | N/A | Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.7 ± 1.0 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 8.7 | 420. | PHPMS | Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
+
= (
•
)
By formula: NO2- + C3H6O = (NO2- • C3H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.90 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.9 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.20 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
+
= C3H6NO4-
By formula: NO2- + C3H6O2 = C3H6NO4-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 12.50 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
+
= C4H8NO4-
By formula: NO2- + C4H8O2 = C4H8NO4-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 13.30 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
+
= (
•
)
By formula: NO2- + C4H10O = (NO2- • C4H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 19.60 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29.5 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.80 ± 0.30 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
+
= (
•
)
By formula: NO2- + C6H4FNO2 = (NO2- • C6H4FNO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.0 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.6 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.1 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
= (
•
)
By formula: NO2- + C6H4N2O4 = (NO2- • C6H4N2O4)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 21.2 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.6 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.4 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
= (
•
)
By formula: NO2- + C6H5NO2 = (NO2- • C6H5NO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.2 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17.5 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.9 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
= (
•
)
By formula: NO2- + C7H3N3O4 = (NO2- • C7H3N3O4)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 23.5 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.7 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 16.4 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
= (
•
)
By formula: NO2- + C7H4N2O2 = (NO2- • C7H4N2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.0 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.0 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.0 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
= (
•
)
By formula: NO2- + C7H4N2O2 = (NO2- • C7H4N2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.8 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.5 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 12.4 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
= (
•
)
By formula: NO2- + C7H7NO3 = (NO2- • C7H7NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.5 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 12.6 ± 2.0 | kcal/mol | TDAs | Grimsrud, Chowdhury, et al., 1986 | gas phase; B |
+
= (
•
)
By formula: NO2- + C7H7NO3 = (NO2- • C7H7NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.5 | kcal/mol | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.3 | cal/mol*K | PHPMS | Grimsrud, Chowdhury, et al., 1986 | gas phase; M |
+
= (
•
)
By formula: NO2- + HNO2 = (NO2- • HNO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.5 ± 1.0 | kcal/mol | TDAs | Lee, Keesee, et al., 1980 | gas phase; B |
+
= (
•
)
By formula: NO2- + H2O = (NO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16. ± 4. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| ΔrS° | 20.0 | cal/mol*K | FA | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO2-)H2O; Lee, Keesee, et al., 1980; M |
| ΔrS° | 23.8 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
| ΔrS° | 21. | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.50 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 8.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
| ΔrG° | 8.1 ± 5.8 | kcal/mol | Endo | Paulson and Dale, 1982 | gas phase; B |
| ΔrG° | 8.10 ± 0.20 | kcal/mol | TDAs | Lee, Keesee, et al., 1980 | gas phase; B |
| ΔrG° | 8.00 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 8.0 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
| 8.4 | 300. | SAMS | Payzant, Cunningham, et al., 1972 | gas phase; M |
( •
) +
= (
• 2
)
By formula: (NO2- • H2O) + H2O = (NO2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.0 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
| ΔrH° | 12.9 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
| ΔrH° | 12.9 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
| ΔrH° | 13.6 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.4 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
| ΔrS° | 23.7 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
| ΔrG° | 5.8 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
| ΔrG° | 5.80 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
| ΔrG° | 6.1 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 5.9 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
| 5.8 | 300. | SAMS | Payzant, Cunningham, et al., 1972 | gas phase; M |
( • 2
) +
= (
• 3
)
By formula: (NO2- • 2H2O) + H2O = (NO2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.5 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
| ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
| ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
| ΔrH° | 11.7 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.8 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
| ΔrS° | 21.2 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
| ΔrG° | 4.0 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
| ΔrG° | 4.10 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
| ΔrG° | 4.5 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
( • 3
) +
= (
• 4
)
By formula: (NO2- • 3H2O) + H2O = (NO2- • 4H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.6 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29.0 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
+
= (
•
)
By formula: NO2- + H2O2 = (NO2- • H2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.2 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.3 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980; B |
+
= (
•
)
By formula: NO2- + H2Se = (NO2- • H2Se)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.9 ± 1.0 | kcal/mol | TDEq | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Equilibration with SO2..NO2-; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.3 ± 3.5 | kcal/mol | TDEq | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Equilibration with SO2..NO2-; B |
( •
) +
= (
• 2
)
By formula: (NO2- • H2Se) + H2Se = (NO2- • 2H2Se)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.50 ± 0.50 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983, 2 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.70 ± 0.30 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983, 2 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (NO2- • 2H2Se) + H2Se = (NO2- • 3H2Se)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.30 ± 0.70 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983, 2 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.10 ± 0.50 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983, 2 | gas phase; B |
( • 4294967295
) +
=
By formula: (NO2- • 4294967295NO2) + NO2 = NO2-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 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 |
| ΔrH° | <46.10 | kcal/mol | PDis | Smith, Lee, et al., 1979 | gas phase; Isomer: O4- + NO ->.; B |
| ΔrH° | 66.0 ± 5.0 | kcal/mol | PDis | Smith, Lee, et al., 1978 | gas phase; B |
+
= (
•
)
By formula: NO2- + O2S = (NO2- • O2S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 25.90 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
| ΔrH° | 24.3 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 36.8 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
| ΔrS° | 31.6 | cal/mol*K | N/A | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO2-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.90 ± 0.30 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
( •
) +
= (
•
•
)
By formula: (NO2- • O2S) + C2H5NO3 = (NO2- • C2H5NO3 • O2S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.4 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 10.4 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; Entropy change is questionable; M |
( •
) +
= (
• 2
)
By formula: (NO2- • O2S) + O2S = (NO2- • 2O2S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.00 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
| ΔrH° | 9.8 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.5 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; M |
| ΔrS° | 16.8 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.00 ± 0.40 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (NO2- • 2O2S) + O2S = (NO2- • 3O2S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.60 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 13.4 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.60 ± 0.80 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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: Marilyn E. Jacox
State: ?
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| Td = 18340 ± 40 | gas | Woo, Helmy, et al., 1981 | |||||
| Ervin, Ho, et al., 1988 | |||||||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 1 | NO stretch | 1284 ± 30 | gas | PE | Ervin, Ho, et al., 1988 | |
| 1 | NO stretch | 1268.1 | T | Ne | IR | Forney, Thompson, et al., 1993 | |
| 2 | Bend | 776 ± 30 | gas | PE | Ervin, Ho, et al., 1988 | ||
| b2 | 3 | NO stretch | 1241.5 | Ne | IR | Jacox and Thompson, 1990 Forney, Thompson, et al., 1993 | |
| 3 | NO stretch | 1244 | Ar | IR | Milligan, Jacox, et al., 1970 Milligan and Jacox, 1971 | ||
Additional references: Jacox, 1994, page 102
Notes
| T | Tentative assignment or approximate value |
| d | Photodissociation threshold |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Chase, M.W., Jr.,
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Laboratory studies of negative ion reactions with atmospheric trace constituents,
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Hydration of Negative Ions in the Gas Phase,
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Hiraoka, K.; Yamabe, S.,
Formation of the Chelate Bonds in the Cluster O2(-)(CO2)n, CO3(-)(CO2)n, and NO2(-)(CO2)n,
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Gas phase complexes of NO2- and NO3- with SO2,
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Wincel, H.,
Gas-phase Solvation of Cl-, NO2-, CH2NO2-, CH3NO2-, and CH3NO4- by CH3NO2,
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The heats of formation of NO3- and NO3- association complexes with HNO3 and HBr,
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Smith, G.P.; Lee, L.C.; Moseley, J.T.,
Photodissociation and photodetachment of molecular negative ions. VIII. Nitrogen oxides and hydrates,3500-8250 Å,
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Smith, Lee, et al., 1978
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Gas - Phase Solvation of NO2- and NO3- by Ethyl Nitrate,
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Gas-phase clustering reactions of NO2-, C2H3NO2-, C2H4NO2-C2H5NO2- and C2H5NO4- with C2H5NO2,
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. [all data]
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Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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