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 201 to 250, 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
MS - José A. Martinho Simões
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 251 to 300
By formula: (Cu+ • 2H2O) + H2O = (Cu+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 70. ± 10. | kJ/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
ΔrH° | 68.6 | kJ/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
56.9 (+7.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Cu+ • 3H2O) + H2O = (Cu+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
ΔrH° | 69.9 | kJ/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 126. | J/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
54.0 (+4.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: C5H6N+ + H2O = (C5H6N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 67.4 | kJ/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
ΔrH° | 62.8 | kJ/mol | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 113. | J/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
ΔrS° | 107. | J/mol*K | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
By formula: (K+ • 2H2O • C6H6) + H2O = (K+ • 3H2O • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.4 | kJ/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
By formula: (K+ • H2O • C6H6) + H2O = (K+ • 2H2O • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 53.1 | kJ/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 89.5 | J/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
By formula: C2H2ClO2- + H2O = (C2H2ClO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.5 ± 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° | 32.2 ± 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: C3H5O3- + H2O = (C3H5O3- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65.3 ± 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° | 36.0 ± 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: C2HF2O2- + H2O = (C2HF2O2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.7 ± 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° | 31.4 ± 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: (F- • 7H2O) + H2O = (F- • 8H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.9 ± 1.7 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 131. | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; 0.4; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.5 ± 6.7 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (CH4NO+ • 2H2O) + H2O = (CH4NO+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.4 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 49.4 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.9 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 87.9 | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
(C4H10NO+ • ) +
= (C4H10NO+ • 2
)
By formula: (C4H10NO+ • H2O) + H2O = (C4H10NO+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.5 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 51.5 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 110. | J/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 |
---|---|---|---|---|---|
ΔrH° | 58.6 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 58.6 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.4 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 95.0 | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: (HO- • H2O) + H2O = (HO- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 73.6 ± 4.2 | kJ/mol | TDAs | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
ΔrH° | 74.9 ± 4.2 | kJ/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 46.9 ± 5.9 | kJ/mol | TDAs | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
ΔrG° | 48.53 | kJ/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
By formula: C3H5O3- + H2O = (C3H5O3- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.5 ± 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° | 32.2 ± 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 = (C2H2IO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.4 ± 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° | 30.1 ± 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: C2H2FO2- + H2O = (C2H2FO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64.0 ± 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° | 34.7 ± 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 = (C7H5O2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.2 ± 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° | 33.9 ± 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: (CH4NO+ • 3H2O) + H2O = (CH4NO+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 41. | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84.5 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 84.5 | J/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 |
---|---|---|---|---|---|
ΔrH° | 41. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 41. | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 107. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 107. | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
C2H5LiO (cr) + 0.5( • 1100
) (solution) = 0.5Li2O4S (solution) +
(solution)
By formula: C2H5LiO (cr) + 0.5(H2O4S • 1100H2O) (solution) = 0.5Li2O4S (solution) + C2H6O (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -113.6 ± 1.3 | kJ/mol | RSC | Blanchard, Joly, et al., 1974 | solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -10.6 kJ/mol for the enthalpy of solution of EtOH(l) and on -17.5±0.3 for the enthalpy of solution of Li2SO4(cr) Blanchard, Joly, et al., 1974.; MS |
By formula: C2H4NO2- + H2O = C2H6NO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.5 ± 2.1 | kJ/mol | TDAs | Nieckarz, Atkins, et al., 2008 | gas phase; B |
ΔrH° | 66.9 ± 1.3 | kJ/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 39. ± 4.2 | kJ/mol | TDAs | Nieckarz, Atkins, et al., 2008 | gas phase; B |
ΔrG° | 34.3 ± 1.7 | kJ/mol | TDAs | Wincel, 2008 | gas phase; B |
By formula: (Cl- • H2O • O2S) + H2O = (Cl- • 2H2O • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38.9 | kJ/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 82.4 | J/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14.2 | kJ/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B |
By formula: (F- • 5H2O) + H2O = (F- • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.6 ± 1.3 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 104. | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15. ± 4.2 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (F- • 6H2O) + H2O = (F- • 7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.5 ± 1.3 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 109. | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11. ± 4.2 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (F- • 8H2O) + H2O = (F- • 9H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.4 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 137. | J/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.4 ± 8.8 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: ClO4- + H2O = (ClO4- • H2O)
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: CH5O+ + H2O = (CH5O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 115. | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 100. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 96. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
C2H5KO (cr) + 0.5( • 1100
) (solution) =
(solution) + 0.5K2O4S (solution)
By formula: C2H5KO (cr) + 0.5(H2O4S • 1100H2O) (solution) = C2H6O (solution) + 0.5K2O4S (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -132.3 ± 2.9 | kJ/mol | RSC | Blanchard, Joly, et al., 1974 | solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -10.6 kJ/mol for the enthalpy of solution of EtOH(l) and on 35.1±0.1 for the enthalpy of solution of K2SO4(cr) Blanchard, Joly, et al., 1974.; MS |
(C2H7O+ • • 2
) +
= (C2H7O+ • 2
• 2
)
By formula: (C2H7O+ • C2H6O • 2H2O) + C2H6O = (C2H7O+ • 2C2H6O • 2H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.1 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 153. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
By formula: C4H10NO+ + H2O = (C4H10NO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.0 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 69.0 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 110. | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: CH4NO+ + H2O = (CH4NO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 88.7 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 89.1 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 114. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 114. | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: (Cl- • 2O2S) + H2O = (Cl- • H2O • 2O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.4 | kJ/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.0 | J/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.0 | kJ/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B |
By formula: (Cl- • 2HCl) + H2O = (Cl- • H2O • 2HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32. | kJ/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 63.6 | J/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
By formula: (Cl- • HCl) + H2O = (Cl- • H2O • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.9 | kJ/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 78.2 | J/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
By formula: (K+ • H2O • 2C6H6) + H2O = (K+ • 2H2O • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.0 | kJ/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
By formula: C2H3ClO + H2O = C2H4O2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -94.47 | kJ/mol | Cm | Devore and O'Neal, 1969 | liquid phase; Heat of hydrolysis; ALS |
ΔrH° | -92.30 | kJ/mol | Cm | Pritchard and Skinner, 1950 | liquid phase; Heat of hydrolysis at 298 K, see Carson and Skinner, 1949; ALS |
ΔrH° | -92.42 | kJ/mol | Cm | Carson and Skinner, 1949 | liquid phase; ALS |
By formula: (C2H4N+ • H2O) + H2O = (C2H4N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.8 ± 7.1 | kJ/mol | CID | Honma, Sunderlin, et al., 1993 | gas phase; guided ion beam CID; M |
ΔrH° | 73.2 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H8N+ • 2H2O) + H2O = (C2H8N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.3 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 102. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18. | kJ/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
(C3H10N+ • 2) +
= (C3H10N+ • 3
)
By formula: (C3H10N+ • 2H2O) + H2O = (C3H10N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.8 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 104. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14. | kJ/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
(C6H18N2+2 • ) +
= (C6H18N2+2 • 2
)
By formula: (C6H18N2+2 • H2O) + H2O = (C6H18N2+2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.0 | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96.7 | J/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 43.5 | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
By formula: C5H12O4 + H2O = C3H6O3 + 2CH4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.47 ± 0.046 | kJ/mol | Cm | Wiberg, 1980 | liquid phase; solvent: Water; Hydroysis; ALS |
ΔrH° | -31.466 ± 0.044 | kJ/mol | Cm | Wiberg and Squires, 1979 | liquid phase; solvent: Water; Hydrolysis; ALS |
ΔrH° | -31.1 ± 1.7 | kJ/mol | Cm | Hine and Klueppet, 1974 | liquid phase; ALS |
(C10H26N2+2 • ) +
= (C10H26N2+2 • 2
)
By formula: (C10H26N2+2 • H2O) + H2O = (C10H26N2+2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 70.3 | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 39. | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
(C12H30N2 • ) +
= (C12H30N2 • 2
)
By formula: (C12H30N2 • H2O) + H2O = (C12H30N2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65.7 | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.1 | J/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 37. | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
By formula: (C2H8N+ • H2O) + H2O = (C2H8N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.5 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26. | kJ/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
(C3H10N+ • ) +
= (C3H10N+ • 2
)
By formula: (C3H10N+ • H2O) + H2O = (C3H10N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.7 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 104. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18. | kJ/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (C3H9O+ • 6H2O) + H2O = (C3H9O+ • 7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33. | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy change calculated or estimated; M |
(C7H22+2 • ) +
= (C7H22+2 • 2
)
By formula: (C7H22+2 • H2O) + H2O = (C7H22+2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.0 | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 99.2 | J/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 41. | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
(C8H22N2+2 • ) +
= (C8H22N2+2 • 2
)
By formula: (C8H22N2+2 • H2O) + H2O = (C8H22N2+2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 70.3 | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 99.6 | J/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 41. | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
(C9H24N2+2 • ) +
= (C9H24N2+2 • 2
)
By formula: (C9H24N2+2 • H2O) + H2O = (C9H24N2+2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.2 | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.9 | J/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 39. | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
By formula: (H3O+ • 12H2O) + H2O = (H3O+ • 13H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.10 | kJ/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 28. | kJ/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 158.7 | J/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; 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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The Ionic Hydrogen Bond. 1. Sterically Hindered Bonds. Solvation and Clustering of Sterically Hindered Amines and Pyridines,
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Ion - Solvent Molecule Interactions in the Gas Phase. Potassium Ion and Benzene,
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Hydration of the Potassium Ion in the Gas Phase: Enthalpies and Entropies of Hydration Reactions K+(H2O)n-1 + H2O = K+(H2O)n for n=1 to n=6,
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Hiraoka, K.; Mizuse, S.; Yamabe, S.,
Solvation of Halide Ions with H2O and CH3CN in the Gas Phase,
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The Ionic Hydrogen Bond. 4. Intramolecular and Multiple Bonds. Proton Affinities, Hydration and Complexes of Amides and Amino Acid Derivatives,
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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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