Water
- Formula: H2O
- Molecular weight: 18.0153
- IUPAC Standard InChI:
- InChI=1S/H2O/h1H2
- Download the identifier in a file.
- IUPAC Standard InChIKey: XLYOFNOQVPJJNP-UHFFFAOYSA-N
- CAS Registry Number: 7732-18-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Water vapor; Distilled water; Ice; H2O; Dihydrogen oxide; steam; Tritiotope
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, reactions 201 to 250, reactions 251 to 300, reactions 301 to 350, reactions 351 to 400, reactions 401 to 450, reactions 451 to 500, reactions 501 to 550, reactions 551 to 600, reactions 601 to 650, reactions 651 to 700, reactions 701 to 750, reactions 751 to 800, reactions 801 to 850, reactions 851 to 900, reactions 901 to 950, reactions 951 to 1000, reactions 1001 to 1050, reactions 1051 to 1100, reactions 1101 to 1150, reactions 1151 to 1200, reactions 1201 to 1250, reactions 1251 to 1300, reactions 1301 to 1350, reactions 1351 to 1360
- Gas Chromatography
- Fluid Properties
- Data at other public NIST sites:
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- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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 |
---|---|---|---|---|---|
![]() | -57.7978 ± 0.0096 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
![]() | -57.799 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1979 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 45.1326 ± 0.0024 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 45.134 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1979 |
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) | 500. - 1700. | 1700. - 6000. |
---|---|---|
A | 7.192161 | 10.02970 |
B | 1.633011 | 2.060720 |
C | 1.623670 | -0.358456 |
D | -0.605755 | 0.023451 |
E | 0.019632 | -2.666740 |
F | -59.96200 | -65.05251 |
G | 53.39309 | 52.52890 |
H | -57.79790 | -57.79790 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in March, 1979 | Data last reviewed in March, 1979 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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 |
---|---|---|---|---|---|
![]() | -68.3150 ± 0.0096 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
![]() | -68.315 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1979 |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 16.72 ± 0.007 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 16.72 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1979 |
Liquid 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. - 500. |
---|---|
A | -48.66300 |
B | 364.0750 |
C | -763.9610 |
D | 591.4089 |
E | 0.921445 |
F | -61.31640 |
G | -116.8060 |
H | -68.31511 |
Reference | Chase, 1998 |
Comment | Data last reviewed in March, 1979 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 373.17 ± 0.04 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 0.0060 | atm | N/A | Sato, Watanabe, et al., 1991 | Uncertainty assigned by TRC = 1.×10-7 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 647. ± 2. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 217.75 | atm | N/A | Sato, Watanabe, et al., 1991 | Uncertainty assigned by TRC = 0.05 atm; TRC |
Pc | 217.72 | atm | N/A | Brunner, 1990 | Uncertainty assigned by TRC = 0.12 atm; TRC |
Pc | 217.58 | atm | N/A | Morita, Sato, et al., 1989 | Uncertainty assigned by TRC = 0.25 atm; based on analysis of their obs. PVT and vapor pressure data some other data from literature; TRC |
Pc | 217.75 | atm | N/A | Aleksandrov, 1986 | Uncertainty assigned by TRC = 0.30 atm; TRC |
Pc | 217.75 | atm | N/A | Sifner, 1985 | Uncertainty assigned by TRC = 0.0001 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 17.9 | mol/l | N/A | Sato, Watanabe, et al., 1991 | Uncertainty assigned by TRC = 0.2 mol/l; TRC |
![]() | 17.91 | mol/l | N/A | Morita, Sato, et al., 1989 | Uncertainty assigned by TRC = 0.083 mol/l; based on analysis of obs. PVT and vapor pressure data; TRC |
![]() | 17.9 | mol/l | N/A | Aleksandrov, 1986 | Uncertainty assigned by TRC = 0.2 mol/l; TRC |
![]() | 17.9 | mol/l | N/A | Sifner, 1985 | Uncertainty assigned by TRC = 0.2 mol/l; TRC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
379. - 573. | 3.55388 | 643.748 | -198.043 | Liu and Lindsay, 1970 | Coefficents calculated by NIST from author's data. |
273. - 303. | 5.39650 | 1838.675 | -31.737 | Bridgeman and Aldrich, 1964 | Coefficents calculated by NIST from author's data. |
304. - 333. | 5.19818 | 1733.926 | -39.485 | Bridgeman and Aldrich, 1964 | Coefficents calculated by NIST from author's data. |
334. - 363. | 5.0711 | 1659.793 | -45.854 | Bridgeman and Aldrich, 1964 | Coefficents calculated by NIST from author's data. |
344. - 373. | 5.07783 | 1663.125 | -45.622 | Bridgeman and Aldrich, 1964 | Coefficents calculated by NIST from author's data. |
293. - 343. | 6.20392 | 2354.731 | 7.559 | Gubkov, Fermor, et al., 1964 | Coefficents calculated by NIST from author's data. |
255.9 - 373. | 4.6486 | 1435.264 | -64.848 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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
RCD - Robert C. Dunbar
MS - José A. Martinho Simões
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.
Reactions 1 to 50
By formula: Cl- + H2O = (Cl- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15. ± 5. | kcal/mol | AVG | N/A | Average of 11 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 19. ± 3. | cal/mol*K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 9. ± 4. | kcal/mol | AVG | N/A | Average of 9 values; Individual data points |
By formula: (H3O+ 2H2O) + H2O = (H3O+
3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.3 ± 0.9 | kcal/mol | AVG | N/A | Average of 9 out of 16 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 28. ± 2. | cal/mol*K | AVG | N/A | Average of 6 out of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 9.4 | kcal/mol | FA | Bierbaum, Golde, et al., 1976 | gas phase; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.1 | 300. | HPMS | Arifov, Pozharov, et al., 1971 | gas phase; M |
9.2 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
8.4 | 300. | PHPMS | Good, Durden, et al., 1970 | gas phase; M |
8.3 | 307. | PHPMS | Good, Durden, et al., 1970, 2 | gas phase; M |
By formula: CH3O+ + H2O = (CH3O+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 28.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; switching reaction(H3O+)H2O; Davidson, Sunner J., et al., 1979, Lias, Liebman, et al., 1984; M |
![]() | 27.9 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2O)2H+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Yamdagni and Kebarle, 1976, Wolf, Staley, et al., 1977; M |
![]() | 28.5 | kcal/mol | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 28.6 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 28.7 | kcal/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 26.9 | cal/mol*K | N/A | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 26.9 | cal/mol*K | N/A | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 26.8 | cal/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.4 | kcal/mol | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 20.5 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: H3O+ + H2O = (H3O+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 32. ± 2. | kcal/mol | AVG | N/A | Average of 7 out of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 28. ± 7. | cal/mol*K | AVG | N/A | Average of 5 out of 7 values; Individual data points |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.1 | 300. | HPMS | Arifov, Pozharov, et al., 1971 | gas phase; M |
By formula: (H3O+ H2O) + H2O = (H3O+
2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 20. ± 1. | kcal/mol | AVG | N/A | Average of 7 out of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22. ± 4. | cal/mol*K | AVG | N/A | Average of 5 out of 7 values; Individual data points |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.6 | 300. | HPMS | Arifov, Pozharov, et al., 1971 | gas phase; M |
By formula: (H3O+ 3H2O) + H2O = (H3O+
4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13. ± 4. | kcal/mol | AVG | N/A | Average of 6 out of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24. ± 5. | cal/mol*K | AVG | N/A | Average of 5 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.5 | kcal/mol | FA | Bierbaum, Golde, et al., 1976 | gas phase; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.8 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
5.4 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
5.0 | 300. | PHPMS | Good, Durden, et al., 1970 | gas phase; M |
5.0 | 307. | PHPMS | Good, Durden, et al., 1970, 2 | gas phase; M |
7.0 | 300. | HPMS | Arifov, Pozharov, et al., 1971 | gas phase; M |
By formula: NO3- + H2O = (NO3- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.60 ± 0.20 | kcal/mol | N/A | Lee, Keesee, et al., 1980 | gas phase; B,M |
![]() | 14.1 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
![]() | 12.40 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
![]() | 14.8 | kcal/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
![]() | 19.2 | kcal/mol | FA | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.0 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
![]() | 25. | cal/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
![]() | 21.3 | cal/mol*K | FA | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M |
![]() | 19.1 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.20 ± 0.30 | kcal/mol | TDAs | Lee, Keesee, et al., 1980 | gas phase; B |
![]() | 7.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
![]() | 7.30 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
![]() | 6.70 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.8 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
6.8 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
7.0 | 300. | SAMS | Payzant, Cunningham, et al., 1972 | gas phase; M |
By formula: NO2- + H2O = (NO2- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16. ± 4. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
![]() | 20.0 | cal/mol*K | FA | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO2-)H2O; Lee, Keesee, et al., 1980; M |
![]() | 23.8 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
![]() | 21. | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 8.50 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
![]() | 8.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
![]() | 8.1 ± 5.8 | kcal/mol | Endo | Paulson and Dale, 1982 | gas phase; B |
![]() | 8.10 ± 0.20 | kcal/mol | TDAs | Lee, Keesee, et al., 1980 | gas phase; B |
![]() | 8.00 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
Free energy of reaction
![]() |
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 |
By formula: (Na+ 3H2O) + H2O = (Na+
4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.1 ± 0.9 | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24. ± 3. | cal/mol*K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.1 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
13.1 (+1.4,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Na+ (3s0); M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
6.4 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Cl- 2H2O) + H2O = (Cl-
3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12. ± 2. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 22.4 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
![]() | 23.2 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.0 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
By formula: I- + H2O = (I- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.4 ± 0.7 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 15.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 19.3 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
![]() | 16.3 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.5 ± 0.3 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.3 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (I- H2O) + H2O = (I-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.90 ± 0.20 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B,M |
![]() | 9.50 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
![]() | 9.50 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
![]() | 9.8 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 9.8 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 17.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 20.3 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
![]() | 19.0 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.0 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.1 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (Cl- H2O) + H2O = (Cl-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13. ± 1. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 20.5 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
![]() | 20.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
![]() | 6.50 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B |
![]() | 6.5 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 6.50 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
![]() | 6.7 | kcal/mol | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: (CH3O+ H2O) + H2O = (CH3O+
2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 21.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 19.9 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 19.8 | kcal/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 27.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 26.2 | cal/mol*K | N/A | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 26.3 | cal/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 12.1 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: (CH3O+ 2H2O) + H2O = (CH3O+
3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 16.9 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 17.0 | kcal/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 26.0 | cal/mol*K | N/A | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 26.0 | cal/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 9.1 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: (H3O+ 4H2O) + H2O = (H3O+
5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12. ± 2. | kcal/mol | AVG | N/A | Average of 5 out of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24. ± 4. | cal/mol*K | AVG | N/A | Average of 4 out of 6 values; Individual data points |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.5 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: (Na+ H2O) + H2O = (Na+
2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 19. ± 2. | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.2 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
![]() | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
19.6 (+1.4,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Na+ (3s0); M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.0 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Na+ 2H2O) + H2O = (Na+
3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.9 | kcal/mol | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
![]() | 15.8 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
![]() | 16.7 ± 1.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
![]() | 16.1 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
![]() | 16. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.8 | cal/mol*K | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
![]() | 21.9 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
![]() | 22.0 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
![]() | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 9.5 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.8 (+1.4,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Na+ (3s0); M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.4 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Cl- 3H2O) + H2O = (Cl-
4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
![]() | 9.70 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
![]() | 10.6 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 10.90 ± 0.70 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B,M |
![]() | 11.1 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 24.8 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
![]() | 25.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 3.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
![]() | 3.50 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B |
![]() | 3.40 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
![]() | 4.0 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (NO2- H2O) + H2O = (NO2-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.0 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
![]() | 12.9 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
![]() | 12.9 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
![]() | 13.6 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 26.4 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
![]() | 23.7 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
![]() | 5.8 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 5.80 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
![]() | 6.1 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
Free energy of reaction
![]() |
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 |
By formula: (H4N+ H2O) + H2O = (H4N+
2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; «DELTA»rH?, Entropy change is questionable, appear out of line; M |
![]() | 13.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; «DELTA»rH of 12.4 kcal/mol from plot is too small; M |
![]() | 14.7 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 28.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; «DELTA»rH?, Entropy change is questionable, appear out of line; M |
![]() | 22.0 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; «DELTA»rH of 12.4 kcal/mol from plot is too small; M |
![]() | 21.9 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 8.8 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6 | 414. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; «DELTA»rH of 12.4 kcal/mol from plot is too small; M |
C16H34OP2Ru (solution) + (solution) = C28H43NP2Ru (solution) +
(solution)
By formula: C16H34OP2Ru (solution) + C12H11N (solution) = C28H43NP2Ru (solution) + H2O (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 1.2 ± 0.1 | kcal/mol | EqS | Bryndza, Fong, et al., 1987 | solvent: Tetrahydrofuran; In a series of reactions involving similar ruthenium complexes, the reaction enthalpy was identified with the reaction Gibbs energy, since the entropy values are expected to be small Bryndza, Fong, et al., 1987. For this reaction, however a van't Hoff plot could be used. Temperature range: 293-328 K; MS |
![]() | 4.71 | kcal/mol | EqS | Bryndza, Fong, et al., 1987 | solvent: Benzene; The reaction enthalpy was identified with the reaction Gibbs energy, since the the entropy is expected to be small Bryndza, Fong, et al., 1987; MS |
By formula: C2H3O2- + H2O = (C2H3O2- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.40 ± 0.80 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
![]() | 15.9 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
![]() | 16.0 ± 1.0 | kcal/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B,M |
![]() | 16.4 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
![]() | 15.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.3 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
![]() | 22.5 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; ion given as C2H3COO- in paper by error; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 9.0 ± 1.4 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
![]() | 9.52 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
![]() | 9.3 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
![]() | 9.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: (I- 2H2O) + H2O = (I-
3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.30 ± 0.30 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B,M |
![]() | 8.5 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
![]() | 9.20 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
![]() | 9.4 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 9.4 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 21.0 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
![]() | 21.3 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 3.00 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B |
![]() | 3.10 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
![]() | 3.3 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
C2H5NaO (cr) + 0.5(
1100
) (solution) =
(solution) + 0.5
(solution)
By formula: C2H5NaO (cr) + 0.5(H2O4S 1100H2O) (solution) = C2H6O (solution) + 0.5Na2O4S (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -28.30 ± 0.91 | kcal/mol | RSC | Blanchard, Joly, et al., 1974 | solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on 9.97±0.04 for the enthalpy of solution of Na2SO4(cr) Blanchard, Joly, et al., 1974. A value of -117.3 ± 1.4 kcal/mol was derived in Blanchard, Joly, et al., 1974 for the enthalpy of formation. However, this value is affected by a calculation error. Also, the authors have not accounted for the acid dilution (this correction could not be made in the present database, due to lack of information). These problems were also noted in the data compilations Tel'noi and Rabinovich, 1980 and Wagman, Evans W.H., et al., 1982, where the values quoted for the enthalpy of formation, which rely on the experimental data reported in Blanchard, Joly, et al., 1974, are -98.0 ± 1.0 kcal/mol and -98.90 kcal/mol, respectively. See also comments in Liebman, Martinho Simões, et al., 1995; MS |
By formula: K+ + H2O = (K+ H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.9 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
![]() | 16. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
![]() | 19.4 ± 2.5 | kcal/mol | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
![]() | 17.9 | kcal/mol | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 19.9 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
![]() | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
![]() | 21.3 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
![]() | 21.6 | cal/mol*K | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.0 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
0.4 | 840. | MS | Chupka, 1959 | gas phase; Knudsen cell, 840+-50K; M |
By formula: (Br- H2O) + H2O = (Br-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.60 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
![]() | 12.20 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
![]() | 12.3 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 12.3 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 18.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 22.9 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
![]() | 5.4 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 5.40 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
![]() | 5.7 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: CN- + H2O = (CN- H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.70 ± 0.80 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B,M |
![]() | 14.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,B,M,M |
![]() | 13.80 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
![]() | 14.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 19.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
![]() | 18. | cal/mol*K | PHPMS | Larson, Szulejko, et al., 1988 | gas phase; M |
![]() | 19.6 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
![]() | 19.6 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
![]() | 19.8 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.30 ± 0.20 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B |
![]() | 8.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
![]() | 8.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
![]() | 7.90 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
By formula: (Br- 2H2O) + H2O = (Br-
3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.40 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
![]() | 6.90 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
![]() | 11.5 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 11.5 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 24.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.7 ± 1.1 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
![]() | 4.1 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 4.10 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
![]() | 4.4 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (NO2- 2H2O) + H2O = (NO2-
3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.5 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
![]() | 10.4 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
![]() | 10.4 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
![]() | 11.7 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.8 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
![]() | 21.2 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
![]() | 4.0 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 4.10 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
![]() | 4.5 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: Br- + H2O = (Br- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.70 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
![]() | 11.70 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
![]() | 12.60 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
![]() | 12.7 | kcal/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 14.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 18.4 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
![]() | 19.8 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; FLAME SOURCE, 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.30 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
![]() | 7.0 ± 2.8 | kcal/mol | TDAs | Burdett and Hayhurst, 1982 | gas phase; B |
![]() | 7.0 ± 2.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
By formula: CH2N+ + H2O = (CH2N+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 27.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
![]() | 29.6 | kcal/mol | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
![]() | 28.8 | cal/mol*K | N/A | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.0 | 300. | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: HO- + H2O = (HO- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 27.0 ± 0.9 | kcal/mol | AVG | N/A | Average of 3 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 28.1 | cal/mol*K | PHPMS | Paul and Kebarle, 1990 | gas phase; M |
![]() | 21.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
![]() | 20.8 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
![]() | 19.1 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
By formula: HO- + H2O = (HO- H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 28. ± 7. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 19.2 ± 1.0 | kcal/mol | TDAs | Paul and Kebarle, 1990 | gas phase; B |
![]() | 20.1 ± 1.6 | kcal/mol | TDEq | Meot-Ner and Sieck, 1986 | gas phase; B |
![]() | 20.0 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
![]() | 18.60 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
By formula: (F- H2O) + H2O = (F-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 19.20 ± 0.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Stated electron affinity is the Vertical Detachment Energy; B,M |
![]() | 16.6 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 16.6 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 18.7 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 12.5 ± 1.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Stated electron affinity is the Vertical Detachment Energy; B |
![]() | 11.0 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 11.00 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
By formula: (C2H3O2- 2H2O) + H2O = (C2H3O2-
3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.8 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
![]() | 12.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
![]() | 11.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20. | cal/mol*K | N/A | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.84 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
![]() | 5.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
![]() | 5.9 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: (Br- 3H2O) + H2O = (Br-
4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.00 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
![]() | 6.2 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
![]() | 10.9 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 26.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 26.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 3.10 ± 0.70 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
![]() | 2.90 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
![]() | 3.3 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: O3P- + H2O = (O3P- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.90 ± 0.30 | kcal/mol | TDAs | Keesee and Castleman Jr., 1989 | gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B,M,M |
![]() | 12.6 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.8 | cal/mol*K | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
![]() | 22.2 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; M |
![]() | 20.8 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.3 ± 1.2 | kcal/mol | TDAs | Keesee and Castleman Jr., 1989 | gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B |
![]() | 6.4 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
By formula: Na+ + H2O = (Na+ H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 24.0 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
![]() | 21.0 ± 1.4 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
![]() | 19.6 ± 1.4 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
![]() | 22.7 ± 1.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
![]() | 26.5 | kcal/mol | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.5 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
![]() | 22. | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, 1600 K; M |
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
22.6 (+1.8,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Na+ (3s0); M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.7 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: (K+ 2H2O) + H2O = (K+
3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.0 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
![]() | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
![]() | 13.2 | kcal/mol | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.5 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
![]() | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
![]() | 23.0 | cal/mol*K | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (C2H3O2- H2O) + H2O = (C2H3O2-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.9 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
![]() | 13.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
![]() | 12.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
![]() | 12.9 | kcal/mol | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 19.1 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
![]() | 20.5 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.00 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
![]() | 6.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: (Cl- 6H2O) + H2O = (Cl-
7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 8.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
![]() | 6.90 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
![]() | 8.1 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 2.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
By formula: Rb+ + H2O = (Rb+ H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.9 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
![]() | 16. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
![]() | 16.0 | kcal/mol | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.2 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
![]() | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
![]() | 20.1 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.4 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (NO3- H2O) + H2O = (NO3-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
![]() | 14.3 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 30.3 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
![]() | 5.20 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2 | 301. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
5.0 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: C4H6N+ + H2O = (C4H6N+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.0 | kcal/mol | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
![]() | 13.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
![]() | 16. | kcal/mol | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, «DELTA»rH<; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.3 | cal/mol*K | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
![]() | 22.0 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
![]() | 32. | cal/mol*K | N/A | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, «DELTA»rH<; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.9 | 344. | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, «DELTA»rH<; M |
By formula: C2H2F3O2+ + H2O = (C2H2F3O2+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 28.3 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.3 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.4 | 309. | ICR | Larson and McMahon, 1982 | gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C4H5O+ + H2O = (C4H5O+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.4 | kcal/mol | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
![]() | 10.2 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
![]() | 16. | kcal/mol | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, «DELTA»rH<; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20. | cal/mol*K | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
![]() | 19.7 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
![]() | 32. | cal/mol*K | N/A | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, «DELTA»rH<; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.2 | 382. | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, «DELTA»rH<; M |
By formula: (F- 2H2O) + H2O = (F-
3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.30 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
![]() | 13.7 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 13.7 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 20.4 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 8.4 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
![]() | 7.6 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 7.60 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
By formula: (HO- H2O) + H2O = (HO-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
![]() | 18. | kcal/mol | CID | Hierl and Paulson, 1984 | gas phase; M |
![]() | 17.9 | kcal/mol | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
![]() | 16.4 | kcal/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
![]() | 23. | kcal/mol | CID | DePaz, Giardini, et al., 1970 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
![]() | 21.2 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
![]() | 19.3 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
By formula: C2H4F3O+ + H2O = (C2H4F3O+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 30.5 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.8 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
23.4 | 309. | ICR | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to H2O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 12.621 ± 0.002 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 165. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 157.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
H+ | 16.95 ± 0.05 | OH | EI | Lefaivre and Marmet, 1978 | LLK |
H+ | 18.7 ± 0.05 | OH(X2P) | EI | Appell and Durup, 1973 | LLK |
H+ | 16.0 ± 0.3 | OH- | EI | Cottin, 1959 | RDSH |
H+ | 19.6 ± 0.25 | OH | EI | Cottin, 1959 | RDSH |
HO+ | 18.08 ± 0.05 | H | EI | Lefaivre and Marmet, 1978 | LLK |
HO+ | 18.115 ± 0.008 | H | PI | McCulloh, 1976 | LLK |
HO+ | 18.2 | H | EI | Morrison and Traeger, 1973 | LLK |
HO+ | 18.05 | H | PI | Dibeler, Walker, et al., 1966 | RDSH |
HO+ | 18.2 ± 0.1 | H | EI | Foner and Hudson, 1956 | RDSH |
H2+ | 20.7 ± 0.4 | O | EI | Ehrhardt and Kresling, 1967 | RDSH |
O+ | 19.0 | H2 | EI | Morrison and Traeger, 1973 | LLK |
O+ | 26.8 | 2H | EI | Morrison and Traeger, 1973 | LLK |
O+ | 19.0 ± 0.2 | H2 | EI | Ehrhardt and Kresling, 1967 | RDSH |
O+ | 26.5 ± 0.3 | 2H? | EI | Ehrhardt and Kresling, 1967 | RDSH |
O+ | 29.15 ± 0.25 | 2H? | EI | Cottin, 1959 | RDSH |
De-protonation reactions
HO- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 390.330 ± 0.010 | kcal/mol | D-EA | Smith, Kim, et al., 1997 | gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B |
![]() | 387.70 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnBr3-; ; «DELTA»S(EA)=1.7; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 383.740 ± 0.060 | kcal/mol | H-TS | Smith, Kim, et al., 1997 | gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B |
![]() | 381.10 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnBr3-; ; «DELTA»S(EA)=1.7; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar
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: Ag+ + H2O = (Ag+ H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 33.3 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 28.4 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Ag+ H2O) + H2O = (Ag+
2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 25.4 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.3 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Ag+ 2H2O) + H2O = (Ag+
3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.0 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.6 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Ag+ 3H2O) + H2O = (Ag+
4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.9 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 29.5 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Ag+ 4H2O) + H2O = (Ag+
5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.7 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 30.3 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Ag+ 5H2O) + H2O = (Ag+
6H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.3 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 32.2 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: Al+ + H2O = (Al+ H2O)
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
24.9 (+3.6,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Al+ (3s2); M |
By formula: (Al+ H2O) + H2O = (Al+
2H2O)
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.1 (+1.2,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Al+ (3s2); M |
By formula: (Al+ 2H2O) + H2O = (Al+
3H2O)
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.2 (+1.8,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Al+ (3s2); M |
By formula: (Al+ 3H2O) + H2O = (Al+
4H2O)
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.5 (+1.4,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Al+ (3s2); M |
By formula: Bi+ + H2O = (Bi+ H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 22.8 | kcal/mol | HPMS | Tang and Castleman, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 27.1 | cal/mol*K | HPMS | Tang and Castleman, 1974 | gas phase; M |
By formula: (Bi+ H2O) + H2O = (Bi+
2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.7 | kcal/mol | HPMS | Tang and Castleman, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.5 | cal/mol*K | HPMS | Tang and Castleman, 1974 | gas phase; M |
By formula: (Bi+ 2H2O) + H2O = (Bi+
3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.0 | kcal/mol | HPMS | Tang and Castleman, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24.4 | cal/mol*K | HPMS | Tang and Castleman, 1974 | gas phase; M |
By formula: (Bi+ 3H2O) + H2O = (Bi+
4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.0 | kcal/mol | HPMS | Tang and Castleman, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.5 | cal/mol*K | HPMS | Tang and Castleman, 1974 | gas phase; M |
By formula: (Bi+ 4H2O) + H2O = (Bi+
5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.5 | kcal/mol | HPMS | Tang and Castleman, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.7 | cal/mol*K | HPMS | Tang and Castleman, 1974 | gas phase; M |
By formula: (Bi+ 5H2O) + H2O = (Bi+
6H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.7 | kcal/mol | HPMS | Tang and Castleman, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.6 | cal/mol*K | HPMS | Tang and Castleman, 1974 | gas phase; M |
By formula: Br- + H2O = (Br- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.70 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
![]() | 11.70 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
![]() | 12.60 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
![]() | 12.7 | kcal/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 14.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 18.4 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
![]() | 19.8 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; FLAME SOURCE, 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.30 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
![]() | 7.0 ± 2.8 | kcal/mol | TDAs | Burdett and Hayhurst, 1982 | gas phase; B |
![]() | 7.0 ± 2.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
By formula: (Br- H2O) + H2O = (Br-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.60 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
![]() | 12.20 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
![]() | 12.3 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 12.3 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 18.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 22.9 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
![]() | 5.4 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 5.40 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
![]() | 5.7 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (Br- 2H2O) + H2O = (Br-
3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.40 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
![]() | 6.90 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
![]() | 11.5 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 11.5 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 24.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.7 ± 1.1 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
![]() | 4.1 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
![]() | 4.10 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
![]() | 4.4 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (Br- 3H2O) + H2O = (Br-
4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.00 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
![]() | 6.2 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
![]() | 10.9 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 26.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
![]() | 26.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 3.10 ± 0.70 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
![]() | 2.90 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
![]() | 3.3 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (Br- 4H2O) + H2O = (Br-
5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.80 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
![]() | 6.2 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 28.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 2.3 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- 5H2O) + H2O = (Br-
6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.30 ± 0.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
![]() | 6.0 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 28.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 1.8 ± 2.1 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- 6H2O) + H2O = (Br-
7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.00 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B,M |
![]() | 2.5 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 29. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 1.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B |
By formula: (Br- 7H2O) + H2O = (Br-
8H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 1.6 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- 8H2O) + H2O = (Br-
9H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 0.7 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- 9H2O) + H2O = (Br-
10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 1.6 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- 10H2O) + H2O = (Br-
11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 1.6 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- 11H2O) + H2O = (Br-
12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 2.5 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- 12H2O) + H2O = (Br-
13H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 1.8 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- 13H2O) + H2O = (Br-
14H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 3.2 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- 14H2O) + H2O = (Br-
15H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -0.5 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- 15H2O) + H2O = (Br-
16H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 2.3 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: CF3+ + H2O = (CF3+ H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 4.6 | kcal/mol | HPMS | Bennet and Field, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 18.8 | cal/mol*K | HPMS | Bennet and Field, 1972 | gas phase; M |
By formula: CF3O- + H2O = CH2F3O2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 6.8 ± 1.0 | kcal/mol | N/A | Amelynck, Van Bavel, et al., 2000 | gas phase; B |
By formula: CF3O3S- + H2O = (CF3O3S- H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.6 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
By formula: (CF3O3S- H2O) + H2O = (CF3O3S-
2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 3.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
By formula: CHO2- + H2O = (CHO2- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.0 ± 1.0 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.0 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 9.1 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
![]() | 8.40 ± 0.20 | kcal/mol | N/A | Viidanoja, Reiner, et al., 2000 | gas phase; B |
![]() | 9.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: (CHO2- H2O) + H2O = (CHO2-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
![]() | 6.90 ± 0.20 | kcal/mol | N/A | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: (CHO2- 2H2O) + H2O = (CHO2-
3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.1 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
![]() | 5.20 ± 0.20 | kcal/mol | N/A | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: CHO3- + H2O = CH3O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.70 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 8.50 ± 0.40 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
By formula: (CH2N+ CHN) + H2O = (CH2N+
H2O
CHN)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 20.1 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: CH2N+ + H2O = (CH2N+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 27.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
![]() | 29.6 | kcal/mol | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
![]() | 28.8 | cal/mol*K | N/A | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.0 | 300. | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: (CH2N+ H2O
CHN) + H2O = (CH2N+
2H2O
CHN)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: (CH2N+ H2O) + H2O = (CH2N+
2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 21.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: (CH2N+ 2H2O) + H2O = (CH2N+
3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 26.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: CH2NO5- + H2O + CH2O2 = CH4NO6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 4.40 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: CH2O2S- + 2H2O = CH4O3S-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.7 ± 2.0 | kcal/mol | N/A | Surber and Sanov, 2002 | gas phase; Stated electron affinity is the Vertical Detachment Energy; B |
By formula: CH2O4- + 2H2O = CH4O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.60 ± 0.50 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.8 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
By formula: CH3O+ + H2O = (CH3O+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 28.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; switching reaction(H3O+)H2O; Davidson, Sunner J., et al., 1979, Lias, Liebman, et al., 1984; M |
![]() | 27.9 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2O)2H+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Yamdagni and Kebarle, 1976, Wolf, Staley, et al., 1977; M |
![]() | 28.5 | kcal/mol | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 28.6 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 28.7 | kcal/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 26.9 | cal/mol*K | N/A | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 26.9 | cal/mol*K | N/A | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 26.8 | cal/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.4 | kcal/mol | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 20.5 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: (CH3O+ H2O) + H2O = (CH3O+
2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 21.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 19.9 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 19.8 | kcal/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 27.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 26.2 | cal/mol*K | N/A | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 26.3 | cal/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 12.1 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: (CH3O+ 2H2O) + H2O = (CH3O+
3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 16.9 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 17.0 | kcal/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 26.0 | cal/mol*K | N/A | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
![]() | 26.0 | cal/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 9.1 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: (CH3O+ 3H2O) + H2O = (CH3O+
4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH3O+ 4H2O) + H2O = (CH3O+
5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH3O+ 5H2O) + H2O = (CH3O+
6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH3O+ 6H2O) + H2O = (CH3O+
7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH3O- CH4O) + H2O = (CH3O-
H2O
CH4O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.8 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.9 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH3O- 2CH4O) + H2O = (CH3O-
H2O
2CH4O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.8 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.0 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: CH3O- + H2O = (CH3O- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 25.3 ± 2.2 | kcal/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
![]() | 23.9 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M,B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.9 | cal/mol*K | PHPMS | Meot-ner and Sieck, 1986 | gas phase; M |
![]() | 22.9 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 17.00 ± 0.30 | kcal/mol | TDAs | Meot-ner and Sieck, 1986 | gas phase; B |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.4 | 296. | FA | MacKay and Bohme, 1978 | gas phase; From thermochemical cycle,switching reaction(OH-)H2O, DG>; Meot-Ner(Mautner), 1986; M |
By formula: (CH3O- H2O
CH4O) + H2O = (CH3O-
2H2O
CH4O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.2 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 27.7 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH3O- H2O) + H2O = (CH3O-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 19.2 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.3 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.2 | 296. | FA | MacKay and Bohme, 1978 | gas phase; From thermochemical cycle,switching reaction(OH-)2H2O; Meot-Ner(Mautner), 1986; M |
By formula: (CH3O- 2H2O) + H2O = (CH3O-
3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.8 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24.4 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.9 | 296. | FA | MacKay and Bohme, 1978 | gas phase; From thermochemical cycle,switching reaction(OH-)3H2O; Meot-Ner(Mautner), 1986; M |
By formula: (CH3O- 3H2O) + H2O = (CH3O-
4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.0 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.0 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: CH3O3S- + H2O = (CH3O3S- H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.9 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
By formula: (CH3O3S- H2O) + H2O = (CH3O3S-
2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.4 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
By formula: (CH3O3S- 2H2O) + H2O = (CH3O3S-
3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.4 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
By formula: CH3O4- + 2H2O = CH5O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.90 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.2 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
By formula: CH3S- + H2O = (CH3S- H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.00 ± 0.20 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.2 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 8.70 ± 0.70 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
By formula: (CH3S- H2O) + H2O = (CH3S-
2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.5 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.5 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
By formula: (CH3S- 2H2O) + H2O = (CH3S-
3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.1 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.5 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
By formula: (CH3S- 3H2O) + H2O = (CH3S-
4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.6 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 19.2 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
By formula: CH4NO+ + H2O = (CH4NO+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 21.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 21.3 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 27.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 27.2 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: (CH4NO+ H2O) + H2O = (CH4NO+
2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 14.0 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 22.7 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: (CH4NO+ 2H2O) + H2O = (CH4NO+
3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 11.8 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 21.0 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: (CH4NO+ 3H2O) + H2O = (CH4NO+
4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 9.7 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 20.2 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: (CH4NO+ 4H2O) + H2O = (CH4NO+
5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 9.9 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 25.6 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: CH4O5- + 3H2O = CH6O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.10 ± 0.80 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 3.3 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
By formula: (CH5O+ CH4O) + H2O = (CH5O+
H2O
CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 18.4 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.7 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH5O+ 3CH4O) + H2O = (CH5O+
H2O
3CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.1 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 27.0 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH5O+ 4CH4O) + H2O = (CH5O+
H2O
4CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.0 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.8 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: CH5O+ + H2O = (CH5O+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 27.6 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
![]() | 25. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 29.4 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
![]() | 23. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH5O+ H2O
2CH4O) + H2O = (CH5O+
2H2O
2CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.8 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.5 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH5O+ H2O
3CH4O) + H2O = (CH5O+
2H2O
3CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 8.6 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 19.0 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH5O+ 2H2O
CH4O) + H2O = (CH5O+
3H2O
CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.2 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.0 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH5O+ 2H2O
2CH4O) + H2O = (CH5O+
3H2O
2CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.2 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.2 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH5O+ 2H2O
3CH4O) + H2O = (CH5O+
3H2O
3CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.1 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22. | cal/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.1 | 272. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (CH5O+ 3H2O
CH4O) + H2O = (CH5O+
4H2O
CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.4 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.5 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH5O+ 3H2O
2CH4O) + H2O = (CH5O+
4H2O
2CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.3 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22. | cal/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.2 | 272. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (CH5O+ 4H2O
CH4O) + H2O = (CH5O+
5H2O
CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.4 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22. | cal/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 269. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (CH5O+ H2O) + H2O = (CH5O+
2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 19.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
![]() | 21.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 27.3 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
![]() | 28.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH5O+ 2H2O) + H2O = (CH5O+
3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.1 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
![]() | 14.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.1 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
![]() | 25.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH5O+ 3H2O) + H2O = (CH5O+
4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.6 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
![]() | 11.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.0 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
![]() | 22.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH5O+ 4H2O) + H2O = (CH5O+
5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
![]() | 9.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.7 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
![]() | 18.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH5O+ 5H2O) + H2O = (CH5O+
6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 8.9 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
![]() | 9.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.2 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
![]() | 22.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH5O+ 6H2O) + H2O = (CH5O+
7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 8.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22. | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.0 | 269. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: CH5O2- + 2H2O = CH7O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 19.2 ± 1.0 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 11.70 ± 0.50 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: CH5O5- + 3H2O = CH7O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.60 ± 0.30 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.5 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
By formula: CH5S+ + H2O = (CH5S+ H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.5 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
![]() | 13.5 | kcal/mol | ICR | Berman and Beauchamp, 1986 | gas phase; bracketing; Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22. | cal/mol*K | N/A | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2 | 476. | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: CH6N+ + H2O = (CH6N+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 18.8 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
![]() | 18.8 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 26.3 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
![]() | 26.3 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 10.7 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (CH6N+ H2O) + H2O = (CH6N+
2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 14.6 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
![]() | 14.6 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 26.7 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
![]() | 26.7 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.5 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (CH6N+ 2H2O) + H2O = (CH6N+
3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 12.4 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
![]() | 12.4 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 26.4 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
![]() | 26.4 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.2 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (CH6N+ 3H2O) + H2O = (CH6N+
4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH6N+ 4H2O) + H2O = (CH6N+
5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.4 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 269. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: (CH6N+ 5H2O) + H2O = (CH6N+
6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 8.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.9 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.1 | 259. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: CH7O3- + 3H2O = CH9O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.8 ± 1.0 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.50 ± 0.50 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: CH7O6- + 4H2O = CH9O7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.40 ± 0.90 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 3.4 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
By formula: CH9O4- + 4H2O = CH11O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.0 ± 1.0 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.10 ± 0.50 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: (CN- CHN) + H2O = (CN-
H2O
CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.4 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 19.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.5 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B |
By formula: (CN- 2CHN) + H2O = (CN-
H2O
2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 7.7 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 12.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.0 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B |
By formula: (CN- 3CHN) + H2O = (CN-
H2O
3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.4 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 3.4 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.2 | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: CN- + H2O = (CN- H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.70 ± 0.80 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B,M |
![]() | 14.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,B,M,M |
![]() | 13.80 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
![]() | 14.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 19.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
![]() | 18. | cal/mol*K | PHPMS | Larson, Szulejko, et al., 1988 | gas phase; M |
![]() | 19.6 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
![]() | 19.6 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
![]() | 19.8 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.30 ± 0.20 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B |
![]() | 8.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
![]() | 8.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
![]() | 7.90 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
By formula: (CN- H2O
CHN) + H2O = (CN-
2H2O
CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.5 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 17.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.2 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B |
By formula: (CN- H2O
2CHN) + H2O = (CN-
2H2O
2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 8.9 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 2.9 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.7 | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: (CN- 2H2O
CHN) + H2O = (CN-
3H2O
CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 8.5 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 2.5 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B |
By formula: (CN- H2O) + H2O = (CN-
2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.7 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B,M |
![]() | 11.7 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 18.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
![]() | 18.1 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.3 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B |
By formula: (CN- 2H2O) + H2O = (CN-
3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.7 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Stated EA is Vertical Detachment Energy, at 12 K. At 298 K, measured Vertical Detachment Energy = 5.50±0.10 eV; B,M |
![]() | 10.7 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 19.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
![]() | 19.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.8 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Stated EA is Vertical Detachment Energy, at 12 K. At 298 K, measured Vertical Detachment Energy = 5.50±0.10 eV; B |
By formula: (CN- 3H2O) + H2O = (CN-
4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.8 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20. | cal/mol*K | N/A | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 3.8 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6 | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated; M |
By formula: CO3- + H2O = CH2O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.10 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
![]() | 11.5 ± 1.0 | kcal/mol | IMRE | Fehsenfeld and Ferguson, 1974 | gas phase; B |
![]() | <38.50 | kcal/mol | PDis | Smith, Lee, et al., 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.60 ± 0.40 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
![]() | 6.70 ± 0.40 | kcal/mol | IMRE | Fehsenfeld and Ferguson, 1974 | gas phase; B |
By formula: CO3- + H2O = (CO3- H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.1 | kcal/mol | HPMS | Keesee, Lee, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1979 | gas phase; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.7 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: (CO3- H2O) + H2O = (CO3-
2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.6 | kcal/mol | HPMS | Keesee, Lee, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 29.6 | cal/mol*K | HPMS | Keesee, Lee, et al., 1979 | gas phase; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.3 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: (CO3- 2H2O) + H2O = (CO3-
3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.1 | kcal/mol | HPMS | Keesee, Lee, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 32.5 | cal/mol*K | HPMS | Keesee, Lee, et al., 1979 | gas phase; M |
By formula: C2Cl3O2- + H2O = (C2Cl3O2- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 5.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C2F3O2- + H2O = (C2F3O2- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.8 ± 1.5 | kcal/mol | N/A | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
![]() | 13.7 ± 1.0 | kcal/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.9 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
![]() | 6.5 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
By formula: (C2F3O2- H2O) + H2O = (C2F3O2-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.7 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: C2H- + H2O = (C2H- H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 18.6 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 10.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: C2HCl2O2- + H2O = (C2HCl2O2- H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 6.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
(C2HCl2O2-
) +
= (C2HCl2O2-
2
)
By formula: (C2HCl2O2- H2O) + H2O = (C2HCl2O2-
2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.9 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
By formula: C2HF2O2- + H2O = (C2HF2O2- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.5 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: (C2HF2O2- H2O) + H2O = (C2HF2O2-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.3 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: C2HO4- + H2O = (C2HO4- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 6.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C2H2ClO2- + H2O = (C2H2ClO2- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.7 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: C2H2FO2- + H2O = (C2H2FO2- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.3 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 8.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: (C2H2FO2- H2O) + H2O = (C2H2FO2-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.9 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: (C2H2FO2- 2H2O) + H2O = (C2H2FO2-
3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.6 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: C2H2F3O2+ + H2O = (C2H2F3O2+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 28.3 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.3 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.4 | 309. | ICR | Larson and McMahon, 1982 | gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C2H2IO2- + H2O = (C2H2IO2- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: (C2H2IO2- H2O) + H2O = (C2H2IO2-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.3 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: (C2H2IO2- 2H2O) + H2O = (C2H2IO2-
3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.3 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: C2H2N- + H2O = (C2H2N- H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 17.6 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.9 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: C2H2O+ + H2O = (C2H2O+ H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.6 | kcal/mol | EI | Postma, Ruttink, et al., 1986 | gas phase; based on AE(CH2CO+)H2O from (HOCH2)2CO+; M |
By formula: C2H3O+ + H2O = (C2H3O+ H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 24.6 | kcal/mol | HPMS | Davidson, Lau, et al., 1978 | gas phase; forms CH3COOH2+; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 33.1 | cal/mol*K | HPMS | Davidson, Lau, et al., 1978 | gas phase; forms CH3COOH2+; M |
By formula: C2H3O- + H2O = (C2H3O- H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.4 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 19.5 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 9.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: (C2H3O2- C6H11NO3) + H2O = (C2H3O2-
H2O
C6H11NO3)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
By formula: C2H3O2- + H2O = (C2H3O2- H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.40 ± 0.80 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
![]() | 15.9 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
![]() | 16.0 ± 1.0 | kcal/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B,M |
![]() | 16.4 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
![]() | 15.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20.3 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
![]() | 22.5 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; ion given as C2H3COO- in paper by error; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 9.0 ± 1.4 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
![]() | 9.52 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
![]() | 9.3 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
![]() | 9.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: (C2H3O2- H2O) + H2O = (C2H3O2-
2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.9 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
![]() | 13.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
![]() | 12.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
![]() | 12.9 | kcal/mol | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 19.1 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
![]() | 20.5 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 7.00 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
![]() | 6.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
By formula: (C2H3O2- 2H2O) + H2O = (C2H3O2-
3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.8 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
![]() | 12.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B |
![]() | 11.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20. | cal/mol*K | N/A | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.84 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
![]() | 5.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M |
![]() | 5.9 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: C2H4F3O+ + H2O = (C2H4F3O+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 30.5 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.8 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
23.4 | 309. | ICR | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: (C2H4N+ C2H3N) + H2O = (C2H4N+
H2O
C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.9 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24.6 | cal/mol*K | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
By formula: C2H4N+ + H2O = (C2H4N+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 22.1 ± 1.4 | kcal/mol | CID | Honma, Sunderlin, et al., 1993 | gas phase; guided ion beam CID; M |
![]() | 22.8 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
![]() | 24.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24.5 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
![]() | 28.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H4N+ H2O
C2H3N) + H2O = (C2H4N+
2H2O
C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.3 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.2 | cal/mol*K | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
By formula: (C2H4N+ H2O
2C2H3N) + H2O = (C2H4N+
2H2O
2C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.7 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22. | cal/mol*K | N/A | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.8 | 316. | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (C2H4N+ 2H2O
C2H3N) + H2O = (C2H4N+
3H2O
C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.3 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.3 | cal/mol*K | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
By formula: (C2H4N+ H2O) + H2O = (C2H4N+
2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.0 ± 1.7 | kcal/mol | CID | Honma, Sunderlin, et al., 1993 | gas phase; guided ion beam CID; M |
![]() | 17.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H4N+ 2H2O) + H2O = (C2H4N+
3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H4N+ 3H2O) + H2O = (C2H4N+
4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H4N+ 4H2O) + H2O = (C2H4N+
5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 23.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H4N+ 5H2O) + H2O = (C2H4N+
6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: C2H4NO2- + H2O = C2H6NO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.33 ± 0.50 | kcal/mol | TDAs | Nieckarz, Atkins, et al., 2008 | gas phase; B |
![]() | 16.00 ± 0.30 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 9.3 ± 1.0 | kcal/mol | TDAs | Nieckarz, Atkins, et al., 2008 | gas phase; B |
![]() | 8.20 ± 0.40 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
By formula: C2H4NO5- + H2O + C2H4O2 = C2H6NO6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 4.60 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: C2H5F2O+ + H2O = (C2H5F2O+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 25. | kcal/mol | ICR | Berman and Beauchamp, 1986 | gas phase; bracketing; Lias, Liebman, et al., 1984; M |
By formula: C2H5F3N+ + H2O = (C2H5F3N+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 21.1 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 30.0 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
By formula: (C2H5F3N+ H2O) + H2O = (C2H5F3N+
2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.3 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 29.9 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
By formula: (C2H5F3N+ 2H2O) + H2O = (C2H5F3N+
3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.2 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 29.2 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
By formula: C2H5O+ + H2O = (C2H5O+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 25.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 27.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ H2O) + H2O = (C2H5O+
2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ 2H2O) + H2O = (C2H5O+
3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 27.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ 3H2O) + H2O = (C2H5O+
4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ 4H2O) + H2O = (C2H5O+
5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 18.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ 5H2O) + H2O = (C2H5O+
6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ 6H2O) + H2O = (C2H5O+
7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: C2H5O+ + H2O = (C2H5O+ H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 20.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
![]() | 21.9 | kcal/mol | HPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ H2O) + H2O = (C2H5O+
2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 26.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ 2H2O) + H2O = (C2H5O+
3H2O)
Bond type: Hydrogen bond (positive ion to hydride)