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 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 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 101 to 150
By formula: C4H9O- + H2O = (C4H9O- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 97.9 ± 4.2 | kJ/mol | IMRE | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Meot-Ner and Sieck, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 62.8 ± 7.9 | kJ/mol | IMRE | Meot-Ner and Sieck, 1986 | gas phase; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
39. | 505. | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C3H9Sn+ + H2O = (C3H9Sn+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 108. | kJ/mol | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 115. | J/mol*K | N/A | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
46.9 | 525. | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH; Entropy change calculated or estimated; M |
By formula: (Br- • 6H2O) + H2O = (Br- • 7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.84 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B,M |
ΔrH° | 10. ± 9.6 | kJ/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.44 | kJ/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B |
By formula: C4H7O2- + H2O = (C4H7O2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65.7 ± 4.2 | kJ/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Meot-Ner and Sieck, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 37. ± 6.7 | kJ/mol | IMRE | Meot-Ner and Sieck, 1986 | gas phase; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16. | 514. | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: (CN- • 3H2O) + H2O = (CN- • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. ± 4.2 | kJ/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/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 |
ΔrG° | 16. ± 5.9 | kJ/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19. | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated; M |
By formula: C6H9N2+ + H2O = (C6H9N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. | kJ/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring protonated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring protonated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2. | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring protonated; M |
By formula: C2H7O+ + H2O = (C2H7O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.9 | kJ/mol | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
ΔrH° | 100. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 94.6 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 114. | J/mol*K | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
ΔrS° | 121. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 111. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; M |
By formula: CH5S+ + H2O = (CH5S+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64.9 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 56.5 | kJ/mol | ICR | Berman and Beauchamp, 1986 | gas phase; bracketing; Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
22. | 476. | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: O2- + H2O = (O2- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 93.3 ± 6.3 | kJ/mol | N/A | Luong, Clements, et al., 2001 | gas phase; Vertical Detachment Energy: 2.03±0.05 eV.; B |
ΔrH° | 77.0 ± 8.4 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84.1 | J/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 52.3 ± 8.4 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
ΔrG° | 49.0 ± 8.4 | kJ/mol | IMRE | Parkes, 1971 | gas phase; B |
By formula: (O3P- • H2O) + H2O = (O3P- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.7 | kJ/mol | ES/HPMS | Blades, Ho, et al., 1996 | gas phase; M |
ΔrH° | 47.7 | kJ/mol | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.0 | J/mol*K | ES/HPMS | Blades, Ho, et al., 1996 | gas phase; M |
ΔrS° | 92.0 | J/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21. | kJ/mol | ES/HPMS | Blades, Ho, et al., 1996 | gas phase; M |
By formula: (Cl- • O2S) + H2O = (Cl- • H2O • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.51 | kJ/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 81.2 | J/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.2 | kJ/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23. | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; From thermochemical cycle,switching reaction(H2O/SO2); M |
(C2H4N+ • • 2
) +
= (C2H4N+ • 2
• 2
)
By formula: (C2H4N+ • H2O • 2C2H3N) + H2O = (C2H4N+ • 2H2O • 2C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. | kJ/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12. | 316. | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (Cs+ • H2O) + H2O = (Cs+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.3 | kJ/mol | DT | McKnight and Sawina, 1972 | gas phase; Entropy change is questionable; M |
ΔrH° | 52.3 | kJ/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 69.5 | J/mol*K | DT | McKnight and Sawina, 1972 | gas phase; Entropy change is questionable; M |
ΔrS° | 92.9 | J/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 25. | kJ/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
(C4H11O2+ • 2 • 2
) +
= (C4H11O2+ • 3
• 2
)
By formula: (C4H11O2+ • 2H2O • 2C4H10O2) + H2O = (C4H11O2+ • 3H2O • 2C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. | kJ/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | N/A | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15. | 225. | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
(C4H11O2+ • 3 •
) +
= (C4H11O2+ • 4
•
)
By formula: (C4H11O2+ • 3H2O • C4H10O2) + H2O = (C4H11O2+ • 4H2O • C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. | kJ/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | N/A | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16. | 225. | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
(CH5O+ • 2 • 3
) +
= (CH5O+ • 3
• 3
)
By formula: (CH5O+ • 2H2O • 3CH4O) + H2O = (CH5O+ • 3H2O • 3CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13. | 272. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
(CH5O+ • 3 • 2
) +
= (CH5O+ • 4
• 2
)
By formula: (CH5O+ • 3H2O • 2CH4O) + H2O = (CH5O+ • 4H2O • 2CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39. | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13. | 272. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
(CH5O+ • 4 •
) +
= (CH5O+ • 5
•
)
By formula: (CH5O+ • 4H2O • CH4O) + H2O = (CH5O+ • 5H2O • CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39. | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15. | 269. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (CH5O+ • H2O) + CH4O = (CH5O+ • CH4O • H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 103. | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
48.5 | 452. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (H4N+ • 3H2O) + H2O = (H4N+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.2 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 51.0 | kJ/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96.2 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 114. | J/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21. | kJ/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (H3S+ • H2S) + H2O = (H3S+ • H2O • H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79.9 | kJ/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; From thermochemical cycle,switching reaction(H3S+ H2O)H2O; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 91.2 | J/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; From thermochemical cycle,switching reaction(H3S+ H2O)H2O; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
By formula: HS- + H2O = (HS- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.4 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
ΔrH° | 59.4 | kJ/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 78.2 | J/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
ΔrS° | 78.2 | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 36. ± 8.4 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: C9H14N+ + H2O = (C9H14N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.4 | kJ/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; (H), ΔrS should be 113.6 J/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; (H), ΔrS should be 113.6 J/mol*K; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.6 | 394. | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; (H), ΔrS should be 113.6 J/mol*K; M |
(C5H16N2+2 • ) +
= (C5H16N2+2 • 2
)
By formula: (C5H16N2+2 • H2O) + H2O = (C5H16N2+2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.0 | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Blades, Klassen, et al., 1996 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 47.3 | kJ/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; Entropy change calculated or estimated; M |
By formula: C3H9O+ + H2O = (C3H9O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.2 | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; unusually small ΔrH and ΔrS; M |
ΔrH° | 56.5 | kJ/mol | HPMS | Beggs and Field, 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 57.3 | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; unusually small ΔrH and ΔrS; M |
ΔrS° | 53.1 | J/mol*K | HPMS | Beggs and Field, 1971 | gas phase; M |
(C6H15O+ • 5) +
= (C6H15O+ • 6
)
By formula: (C6H15O+ • 5H2O) + H2O = (C6H15O+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39. | kJ/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | N/A | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15. | 234. | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: O- + H2O = (O- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 111. ± 7.5 | kJ/mol | PDis | Deyerl, Clements, et al., 2001 | gas phase; B |
ΔrH° | 2.2 | kJ/mol | N/A | Arnold, Xu, et al., 1995 | gas phase; Vertical Detachment Energy: 1.45 eV. Affinity is difference between EA of O-. and HOH..O-.; B |
ΔrH° | 126. | kJ/mol | PDiss | Roehl, Snodgrass, et al., 1991 | gas phase; ΔrH<; M |
ΔrH° | 130. | kJ/mol | FA | Fehsenfeld and Ferguson, 1974 | gas phase; bracketing, ΔrH<; M |
By formula: (H3S+ • H2O) + H2O = (H3S+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 84.9 | kJ/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; From thermochemical cycle,switching reaction(H3O+ H2O)H2O; Cunningham, Payzant, et al., 1972, Yamdagni and Kebarle, 1976; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 91.2 | J/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; From thermochemical cycle,switching reaction(H3O+ H2O)H2O; Cunningham, Payzant, et al., 1972, Yamdagni and Kebarle, 1976; M |
By formula: (HO- • 4H2O) + H2O = (HO- • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.1 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrH° | 59.0 | kJ/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 101. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrS° | 139. | J/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
By formula: (Cl- • HCl • H2O) + HCl = (Cl- • 2HCl • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.5 | kJ/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle,switching reaction(Cl- H2O) HCl, deuterated; Yamdagni and Kebarle, 1974; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.4 | J/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle,switching reaction(Cl- H2O) HCl, deuterated; Yamdagni and Kebarle, 1974; M |
By formula: C2H4N+ + H2O = (C2H4N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.5 ± 5.9 | kJ/mol | CID | Honma, Sunderlin, et al., 1993 | gas phase; guided ion beam CID; M |
ΔrH° | 95.4 | kJ/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
ΔrH° | 104. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
ΔrS° | 119. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (Ca+2 • 10H2O) + H2O = (Ca+2 • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
30. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Ca+2 • 11H2O) + H2O = (Ca+2 • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
29. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Mn+2 • 11H2O) + H2O = (Mn+2 • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
30. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Co+2 • 10H2O) + H2O = (Co+2 • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
32. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Co+2 • 11H2O) + H2O = (Co+2 • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: C5H10NO2+ + H2O = (C5H10NO2+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79.1 | kJ/mol | PHPMS | Meot-Ner and Field, 1974 | gas phase; Entropy change is questionable; M |
ΔrH° | 79.1 | kJ/mol | PHPMS | Meot-Ner and Field, 1974 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 154. | J/mol*K | PHPMS | Meot-Ner and Field, 1974 | gas phase; Entropy change is questionable; M |
ΔrS° | 154. | J/mol*K | PHPMS | Meot-Ner and Field, 1974 | gas phase; Entropy change is questionable; M |
By formula: (Ca+2 • 9H2O) + H2O = (Ca+2 • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
32. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Co+2 • 9H2O) + H2O = (Co+2 • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
36. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Ca+2 • 8H2O) + H2O = (Ca+2 • 9H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
33. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Ni+2 • 10H2O) + H2O = (Ni+2 • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31. | 300. | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Ni+2 • 11H2O) + H2O = (Ni+2 • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31. | 300. | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Ni+2 • 12H2O) + H2O = (Ni+2 • 13H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31. | 300. | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Mn+2 • 10H2O) + H2O = (Mn+2 • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
32. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Sr+2 • 10H2O) + H2O = (Sr+2 • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
30. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Sr+2 • 11H2O) + H2O = (Sr+2 • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
29. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Ni+2 • 9H2O) + H2O = (Ni+2 • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
33. | 300. | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Mn+2 • 9H2O) + H2O = (Mn+2 • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
34. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Mg+2 • 9H2O) + H2O = (Mg+2 • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
34. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Sr+2 • 9H2O) + H2O = (Sr+2 • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 10. | kJ/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31. | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; 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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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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