Water
- Formula: H2O
- Molecular weight: 18.0153
- 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
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- Information on this page:
- Other data available:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, 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 phase ion energetics data
- Ion clustering data
- IR Spectrum
- Mass spectrum (electron ionization)
- Vibrational and/or electronic energy levels
- Gas Chromatography
- Fluid Properties
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. 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 201 to 250
(HO4S- • • 3
) +
= (HO4S- • 2
• 3
)
By formula: (HO4S- • H2O • 3H2O4S) + H2O = (HO4S- • 2H2O • 3H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.4 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
30. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: H- + H2O = (H- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 74.1 ± 8.4 | kJ/mol | N/A | Miller, Leopold, et al., 1985 | gas phase; EA given is Vertical Detachment Energy. Est. Adiabatic: 1.40 eV, 32.3 kcal/mol; B |
ΔrH° | 72. ± 15. | kJ/mol | Ther | Paulson and Henchman, 1984 | gas phase; HOH..HO- + H2 ->. See also Griffiths and Harris, 1989; B,M |
ΔrH° | 57.74 | kJ/mol | CIDT | Paulson and Henchman, 1982 | gas phase; B |
By formula: (NO3- • HNO3) + H2O = (NO3- • H2O • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.4 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (NO- • 2H2O) + H2O = (NO- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 74.5 | kJ/mol | PES | Eaton, Arnold, et al., 1990 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23. | 308. | PHPMS | French, Hills, et al., 1973 | gas phase; M |
25. | 293. | HPMS | McAdams and Bone, 1972 | gas phase; M |
25. | 296. | FA | Howard, Rundle, et al., 1971 | gas phase; M |
25. | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
By formula: (Cl- • 2H2O) + HCl = (Cl- • HCl • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.4 | kJ/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl- 2H2O)H2O, deuterated; Keesee and Castleman, 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 90.8 | J/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl- 2H2O)H2O, deuterated; Keesee and Castleman, 1980; M |
By formula: (CH3O- • 2H2O) + H2O = (CH3O- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.9 | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 102. | J/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
33. | 296. | FA | MacKay and Bohme, 1978 | gas phase; From thermochemical cycle,switching reaction(OH-)3H2O; Meot-Ner(Mautner), 1986; M |
By formula: (Na+ • 3H2O) + CO2 = (Na+ • CO2 • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30. | kJ/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1. | kJ/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: (CH3O- • H2O) + H2O = (CH3O- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 80.3 | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 106. | J/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
34. | 296. | FA | MacKay and Bohme, 1978 | gas phase; From thermochemical cycle,switching reaction(OH-)2H2O; Meot-Ner(Mautner), 1986; M |
By formula: (HO4S- • 2H2O4S) + H2O = (HO4S- • H2O • 2H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.6 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 3H2O4S) + H2O = (HO4S- • H2O • 3H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.7 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
33. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 4H2O4S) + H2O = (HO4S- • H2O • 4H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.2 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
34. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • HNO3) + H2O = (HO4S- • H2O • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.4 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
30. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (C3H9O+ • H2O) + H2O = (C3H9O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.6 | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 62.3 | kJ/mol | HPMS | Beggs and Field, 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 101. | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 90.0 | J/mol*K | HPMS | Beggs and Field, 1971 | gas phase; M |
By formula: (H2O4P- • H2O) + H2O = (H2O4P- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.5 | kJ/mol | ES/HPMS | Blades, Ho, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.0 | J/mol*K | ES/HPMS | Blades, Ho, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26. | kJ/mol | ES/HPMS | Blades, Ho, et al., 1996 | gas phase; M |
ΔrG° | 26. | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (C2H7O+ • 2H2O) + H2O = (C2H7O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.0 | kJ/mol | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
ΔrH° | 57.7 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.0 | J/mol*K | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
ΔrS° | 106. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ • 2H2O) + H2O = (C2H7O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.1 | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 59.4 | kJ/mol | PHPMS | Kebarle, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 110. | J/mol*K | PHPMS | Kebarle, 1977 | gas phase; M |
By formula: (C2H7O+ • 3H2O) + H2O = (C2H7O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.3 | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 52.3 | kJ/mol | PHPMS | Kebarle, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.4 | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 110. | J/mol*K | PHPMS | Kebarle, 1977 | gas phase; M |
By formula: (C2H7O+ • H2O) + H2O = (C2H7O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 78.2 | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 80.3 | kJ/mol | PHPMS | Kebarle, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 113. | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 120. | J/mol*K | PHPMS | Kebarle, 1977 | gas phase; M |
By formula: H2O4P- + H2O = (H2O4P- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.6 | kJ/mol | ES/HPMS | Blades, Ho, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.9 | J/mol*K | ES/HPMS | Blades, Ho, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 32. | kJ/mol | ES/HPMS | Blades, Ho, et al., 1996 | gas phase; M |
ΔrG° | 32. | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (C4H6N+ • H2O) + H2O = (C4H6N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.5 | kJ/mol | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrH° | 45.6 | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 94.6 | J/mol*K | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrS° | 99.2 | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: (C3H5O3- • 2H2O) + H2O = (C3H5O3- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.4 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 20.1 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (ClO2- • 2H2O) + H2O = (ClO2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.4 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 20.1 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C2F3O2- • H2O) + H2O = (C2F3O2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.0 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.7 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (Cl- • O2S • H2O) + O2S = (Cl- • 2O2S • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.4 | kJ/mol | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 109. | J/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17. | 296. | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
By formula: (C3H5O3- • H2O) + H2O = (C3H5O3- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.8 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 25.5 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (ClO2- • H2O) + H2O = (ClO2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.8 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 25.5 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
(C2HF2O2- • ) +
= (C2HF2O2- • 2
)
By formula: (C2HF2O2- • H2O) + H2O = (C2HF2O2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.5 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22.2 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C2H3O2- • 2C2H4O2 • H2O) + C2H4O2 = (C2H3O2- • 3C2H4O2 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.3 ± 2.5 | kJ/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrH° | 67.8 ± 4.2 | kJ/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 24.0 | kJ/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrG° | 26. ± 4.2 | kJ/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
By formula: (C2H3O2- • C2H4O2 • H2O) + C2H4O2 = (C2H3O2- • 2C2H4O2 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 82.4 ± 2.1 | kJ/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrH° | 67.8 ± 4.2 | kJ/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 45.23 | kJ/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrG° | 26. ± 4.2 | kJ/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
By formula: Cs+ + H2O = (Cs+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.8 | kJ/mol | DT | McKnight and Sawina, 1972 | gas phase; Entropy change is questionable; M |
ΔrH° | 57.3 | kJ/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 59.8 | J/mol*K | DT | McKnight and Sawina, 1972 | gas phase; Entropy change is questionable; M |
ΔrS° | 81.2 | J/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
By formula: (HS- • 2H2O) + H2O = (HS- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.0 | kJ/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
ΔrH° | 49.0 | kJ/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 98.3 | J/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
ΔrS° | 98.3 | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
By formula: (H4N+ • 4H2O) + H2O = (H4N+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.4 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 41. | kJ/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 113. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 93.7 | J/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (HS- • H2O) + H2O = (HS- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.7 | kJ/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
ΔrH° | 52.7 | kJ/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 85.4 | J/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
ΔrS° | 85.4 | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
By formula: (C2H2IO2- • 2H2O) + H2O = (C2H2IO2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.3 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18.0 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (K+ • C6H6 • H2O) + C6H6 = (K+ • 2C6H6 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.2 | kJ/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 126. | J/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M |
By formula: (C2H2FO2- • 2H2O) + H2O = (C2H2FO2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.5 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.2 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C7H5O2- • 2H2O) + H2O = (C7H5O2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.1 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18.8 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (CH5O+ • 2H2O) + H2O = (CH5O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.0 | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 61.9 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 108. | J/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 |
---|---|---|---|---|---|
ΔrH° | 48.5 | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 48.5 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96.2 | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 92.5 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C3H5O3- • H2O) + H2O = (C3H5O3- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.5 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22.2 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff 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 |
---|---|---|---|---|---|
ΔrH° | 51.5 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22.2 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff 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 |
---|---|---|---|---|---|
ΔrH° | 54.0 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 24.7 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C7H5O2- • H2O) + H2O = (C7H5O2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 53.1 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23.8 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (CH5O+ • H2O) + H2O = (CH5O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 82.8 | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 87.9 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 114. | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 121. | J/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 |
---|---|---|---|---|---|
ΔrH° | 41. | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 38. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 86.6 | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 77.4 | J/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 |
---|---|---|---|---|---|
ΔrH° | 37. | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 39. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84.5 | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 92.9 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (HO- • 7H2O) + H2O = (HO- • 8H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16. | 245. | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
By formula: C2H7O+ + H2O = (C2H7O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 111. | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 100. | kJ/mol | PHPMS | Kebarle, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 128. | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 110. | J/mol*K | PHPMS | Kebarle, 1977 | gas phase; M |
By formula: (HO4S- • H2O) + H2O = (HO4S- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.0 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.7 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (Cl- • 2H2O) + O2S = (Cl- • O2S • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.0 | kJ/mol | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 81.2 | J/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
35. | 296. | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Production of H3O+.nH2O from NO+ Precursor in NO - H2O Gas Mixtures,
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Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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