Water

Formula: H₂O
Molecular weight: 18.0153
IUPAC Standard InChI: InChI=1S/H2O/h1H2
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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Reaction thermochemistry data

Go To: Top, References, Notes

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar
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 51 to 100

+ Water = ( • Water )

By formula: Cu⁺ + H₂O = (Cu⁺ • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.9	kcal/mol	HPMS	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Δ_rH°	35. ± 3.	kcal/mol	CID	Magnera, David, et al., 1989	gas phase; M
Δ_rH°	35. ± 3.	kcal/mol	CID	Magnera, David, et al., 1989, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.4	kcal/mol	HPMS	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
37.5 (+1.9,-0.)		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID; M

( • 5 Water ) + Water = ( • 6 Water )

By formula: (H₃O⁺ • 5H₂O) + H₂O = (H₃O⁺ • 6H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.7	kcal/mol	PHPMS	Lau, Ikuta, et al., 1982	gas phase; M
Δ_rH°	11.7	kcal/mol	HPMS	Kebarle, Searles, et al., 1967	gas phase; M
Δ_rH°	16.09	kcal/mol	MKER	Shi, Ford, et al., 1993	gas phase; Entropy change is questionable; M
Δ_rH°	6.7	kcal/mol	CID	Magnera, David, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.1	cal/mol*K	PHPMS	Lau, Ikuta, et al., 1982	gas phase; M
Δ_rS°	29.6	cal/mol*K	HPMS	Kebarle, Searles, et al., 1967	gas phase; M
Δ_rS°	82.69	cal/mol*K	MKER	Shi, Ford, et al., 1993	gas phase; Entropy change is questionable; M

( • 4 Water ) + Water = ( • 5 Water )

By formula: (Cl^- • 4H₂O) + H₂O = (Cl^- • 5H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.5 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rH°	6.70	kcal/mol	N/A	Markovich, Pollack, et al., 1994	gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δ_rH°	9.5 ± 0.3	kcal/mol	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.7	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.0 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rG°	2.9 ± 2.0	kcal/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

( • 4 Water ) + Water = ( • 5 Water )

By formula: (F^- • 4H₂O) + H₂O = (F^- • 5H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.30 ± 0.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	13.2 ± 1.0	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.0	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	30.7	cal/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.5 ± 1.3	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	7.10	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
Δ_rG°	4.6 ± 2.0	kcal/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

( • 3 Water ) + Water = ( • 4 Water )

By formula: (Li⁺ • 3H₂O) + H₂O = (Li⁺ • 4H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.7 ± 1.2	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
Δ_rH°	16.4	kcal/mol	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rH°	15. ± 3.	kcal/mol	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electrospray, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.9	cal/mol*K	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rS°	23.	cal/mol*K	N/A	Blades, Jayaweera, et al., 1990	gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.8	300.	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electrospray, Entropy change calculated or estimated; M

( • 4 Water ) + Water = ( • 5 Water )

By formula: (Li⁺ • 4H₂O) + H₂O = (Li⁺ • 5H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.6 ± 1.0	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
Δ_rH°	13.9	kcal/mol	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rH°	12. ± 3.	kcal/mol	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	31.4	cal/mol*K	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rS°	23.	cal/mol*K	N/A	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
5.5	300.	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M

( • 3 Water ) + Water = ( • 4 Water )

By formula: (F^- • 3H₂O) + H₂O = (F^- • 4H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.90 ± 0.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	13.5 ± 1.0	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.6	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	26.9	cal/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.9 ± 1.3	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	5.50	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
Δ_rG°	6.1 ± 2.0	kcal/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

( • Water ) + Water = ( • 2 Water )

By formula: (Cu⁺ • H₂O) + H₂O = (Cu⁺ • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.9	kcal/mol	HPMS	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Δ_rH°	39. ± 3.	kcal/mol	CID	Magnera, David, et al., 1989, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.4	kcal/mol	HPMS	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
40.6 (+1.7,-0.)		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID; M

(CN^- • 2 Water ) + Water = (CN^- • 3 Water )

By formula: (CN^- • 2H₂O) + H₂O = (CN^- • 3H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.7 ± 1.0	kcal/mol	TDAs	Meot-Ner (Mautner) M. and Speller, 1989	gas phase; Stated EA is Vertical Detachment Energy, at 12 K. At 298 K, measured Vertical Detachment Energy = 5.50±0.10 eV; B,M
Δ_rH°	10.7	kcal/mol	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.8	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rS°	19.8	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.8 ± 1.4	kcal/mol	TDAs	Meot-Ner (Mautner) M. and Speller, 1989	gas phase; Stated EA is Vertical Detachment Energy, at 12 K. At 298 K, measured Vertical Detachment Energy = 5.50±0.10 eV; B

CH₃O^- + Water = (CH₃O^- • Water )

By formula: CH₃O^- + H₂O = (CH₃O^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	25.3 ± 2.2	kcal/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Δ_rH°	23.9	kcal/mol	PHPMS	Meot-Ner(Mautner), 1986	gas phase; n; M,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.9	cal/mol*K	PHPMS	Meot-ner and Sieck, 1986	gas phase; M
Δ_rS°	22.9	cal/mol*K	PHPMS	Meot-Ner(Mautner), 1986	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	17.00 ± 0.30	kcal/mol	TDAs	Meot-ner and Sieck, 1986	gas phase; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
15.4	296.	FA	MacKay and Bohme, 1978	gas phase; From thermochemical cycle,switching reaction(OH-)H2O, DG>; Meot-Ner(Mautner), 1986; M

( • 2 Water ) + Water = ( • 3 Water )

By formula: (H₄N⁺ • 2H₂O) + H₂O = (H₄N⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.7	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1986	gas phase; M
Δ_rH°	13.4	kcal/mol	PHPMS	Payzant, Cunningham, et al., 1973	gas phase; M
Δ_rH°	12.2	kcal/mol	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.8	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1986	gas phase; M
Δ_rS°	25.1	cal/mol*K	PHPMS	Payzant, Cunningham, et al., 1973	gas phase; M
Δ_rS°	21.2	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.5	kcal/mol	HPMS	Banic and Iribarne, 1985	gas phase; electric fields; M

( • 3 Water ) + Water = ( • 4 Water )

By formula: (I^- • 3H₂O) + H₂O = (I^- • 4H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.20 ± 0.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	6.9 ± 2.3	kcal/mol	N/A	Markovich, Pollack, et al., 1994	gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.6	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.1 ± 1.6	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	2.2 ± 2.0	kcal/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

(C₃H₁₀N⁺ • 3 Water ) + Water = (C₃H₁₀N⁺ • 4 Water )

By formula: (C₃H₁₀N⁺ • 3H₂O) + H₂O = (C₃H₁₀N⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.4	kcal/mol	PHPMS	Meot-Ner (Mautner), 1984	gas phase; Entropy change calculated or estimated, attributed to MeNH3+.4H2O by error in footnote; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.6	cal/mol*K	N/A	Meot-Ner (Mautner), 1984	gas phase; Entropy change calculated or estimated, attributed to MeNH3+.4H2O by error in footnote; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.0	254.	PHPMS	Meot-Ner (Mautner), 1984	gas phase; Entropy change calculated or estimated, attributed to MeNH3+.4H2O by error in footnote; M

( • 2 Water ) + Water = ( • 3 Water )

By formula: (Rb⁺ • 2H₂O) + H₂O = (Rb⁺ • 3H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.2	kcal/mol	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rH°	13. ± 3.	kcal/mol	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electrospray, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.0	cal/mol*K	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rS°	23.	cal/mol*K	N/A	Blades, Jayaweera, et al., 1990	gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.0	300.	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electrospray, Entropy change calculated or estimated; M

(CH₆N⁺ • 2 Water ) + Water = (CH₆N⁺ • 3 Water )

By formula: (CH₆N⁺ • 2H₂O) + H₂O = (CH₆N⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.3	kcal/mol	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rH°	12.4	kcal/mol	PHPMS	Lau and Kebarle, 1981	gas phase; M
Δ_rH°	12.4	kcal/mol	PHPMS	Lau and Kebarle, 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.1	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rS°	26.4	cal/mol*K	PHPMS	Lau and Kebarle, 1981	gas phase; M
Δ_rS°	26.4	cal/mol*K	PHPMS	Lau and Kebarle, 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.2	kcal/mol	HPMS	Banic and Iribarne, 1985	gas phase; electric fields; M

( • Water ) + Water = ( • 2 Water )

By formula: (Rb⁺ • H₂O) + H₂O = (Rb⁺ • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.6	kcal/mol	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rH°	14. ± 3.	kcal/mol	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.2	cal/mol*K	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rS°	23.	cal/mol*K	N/A	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.2	300.	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M

(CH₆N⁺ • Water ) + Water = (CH₆N⁺ • 2 Water )

By formula: (CH₆N⁺ • H₂O) + H₂O = (CH₆N⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.6	kcal/mol	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rH°	14.6	kcal/mol	PHPMS	Lau and Kebarle, 1981	gas phase; M
Δ_rH°	14.6	kcal/mol	PHPMS	Lau and Kebarle, 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.2	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rS°	26.7	cal/mol*K	PHPMS	Lau and Kebarle, 1981	gas phase; M
Δ_rS°	26.7	cal/mol*K	PHPMS	Lau and Kebarle, 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.5	kcal/mol	HPMS	Banic and Iribarne, 1985	gas phase; electric fields; M

( • 4 Water ) + Water = ( • 5 Water )

By formula: (I^- • 4H₂O) + H₂O = (I^- • 5H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.00	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy estimated; B,M
Δ_rH°	4.20	kcal/mol	N/A	Markovich, Pollack, et al., 1994	gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.50	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy estimated; B

+ Water = ( • Water )

By formula: C₂F₃O₂^- + H₂O = (C₂F₃O₂^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.8 ± 1.5	kcal/mol	N/A	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δ_rH°	13.7 ± 1.0	kcal/mol	N/A	Meot-Ner and Sieck, 1986	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.9	cal/mol*K	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.80 ± 0.30	kcal/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δ_rG°	6.5 ± 1.6	kcal/mol	TDAs	Meot-Ner and Sieck, 1986	gas phase; B

( • 4 Water ) + Water = ( • 5 Water )

By formula: (Na⁺ • 4H₂O) + H₂O = (Na⁺ • 5H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.7	kcal/mol	HPMS	Tang, Lian, et al., 1976	gas phase; M
Δ_rH°	11.6	kcal/mol	HPMS	Tang and Castleman, 1972	gas phase; M
Δ_rH°	12.3	kcal/mol	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.9	cal/mol*K	HPMS	Tang, Lian, et al., 1976	gas phase; M
Δ_rS°	26.5	cal/mol*K	HPMS	Tang and Castleman, 1972	gas phase; M
Δ_rS°	28.1	cal/mol*K	HPMS	Dzidic and Kebarle, 1970	gas phase; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.7	293.	ES/HPMS	Klassen, Blades, et al., 1995	gas phase; M

( • ) + Water = ( • Water • )

By formula: (Na⁺ • CO₂) + H₂O = (Na⁺ • H₂O • CO₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.7	kcal/mol	HPMS	Peterson, Mark, et al., 1984	gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Δ_rH°	22.9	kcal/mol	FA	Perry, Rowe, et al., 1980	gas phase; From thermochemical cycle(Na+) 2H2O; Dzidic and Kebarle, 1970, Peterson, Mark, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.3	cal/mol*K	HPMS	Peterson, Mark, et al., 1984	gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Δ_rS°	25.6	cal/mol*K	FA	Perry, Rowe, et al., 1980	gas phase; From thermochemical cycle(Na+) 2H2O; Dzidic and Kebarle, 1970, Peterson, Mark, et al., 1984; M

( • 5 Water ) + Water = ( • 6 Water )

By formula: (Cl^- • 5H₂O) + H₂O = (Cl^- • 6H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.8 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rH°	8.50	kcal/mol	N/A	Markovich, Pollack, et al., 1994	gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δ_rH°	8.8 ± 0.4	kcal/mol	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.2	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.4 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

C₃H₁₀N⁺ + Water = (C₃H₁₀N⁺ • Water )

By formula: C₃H₁₀N⁺ + H₂O = (C₃H₁₀N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.5	kcal/mol	PHPMS	El-Shall, Daly, et al., 1992	gas phase; M
Δ_rH°	14.5	kcal/mol	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rH°	14.5	kcal/mol	PHPMS	Meot-Ner M. and Sieck, 1983	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.4	cal/mol*K	PHPMS	El-Shall, Daly, et al., 1992	gas phase; M
Δ_rS°	24.1	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rS°	24.1	cal/mol*K	PHPMS	Meot-Ner M. and Sieck, 1983	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.6	kcal/mol	HPMS	Banic and Iribarne, 1985	gas phase; electric fields; M

CH₆N⁺ + Water = (CH₆N⁺ • Water )

By formula: CH₆N⁺ + H₂O = (CH₆N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.8	kcal/mol	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rH°	18.8	kcal/mol	PHPMS	Lau and Kebarle, 1981	gas phase; M
Δ_rH°	18.8	kcal/mol	PHPMS	Lau and Kebarle, 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.8	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rS°	26.3	cal/mol*K	PHPMS	Lau and Kebarle, 1981	gas phase; M
Δ_rS°	26.3	cal/mol*K	PHPMS	Lau and Kebarle, 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.7	kcal/mol	HPMS	Banic and Iribarne, 1985	gas phase; electric fields; M

( • 3 Water ) + Water = ( • 4 Water )

By formula: (K⁺ • 3H₂O) + H₂O = (K⁺ • 4H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13. ± 3.	kcal/mol	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Δ_rH°	11.8	kcal/mol	HPMS	Searles and Kebarle, 1969	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	N/A	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Δ_rS°	24.7	cal/mol*K	HPMS	Searles and Kebarle, 1969	gas phase; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
5.9	300.	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M

( • Water ) + Water = ( • 2 Water )

By formula: (K⁺ • H₂O) + H₂O = (K⁺ • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16. ± 3.	kcal/mol	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Δ_rH°	16.1	kcal/mol	HPMS	Searles and Kebarle, 1969	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	N/A	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Δ_rS°	24.2	cal/mol*K	HPMS	Searles and Kebarle, 1969	gas phase; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
9.2	300.	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M

C₇H₁₀N⁺ + Water = (C₇H₁₀N⁺ • Water )

By formula: C₇H₁₀N⁺ + H₂O = (C₇H₁₀N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.5	kcal/mol	PHPMS	Lau, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; ring to N proton shift on hydration; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.	cal/mol*K	N/A	Lau, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; ring to N proton shift on hydration; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.0	433.	PHPMS	Lau, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; ring to N proton shift on hydration; M

C₇H₁₀NO⁺ + Water = (C₇H₁₀NO⁺ • Water )

By formula: C₇H₁₀NO⁺ + H₂O = (C₇H₁₀NO⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.3	kcal/mol	PHPMS	Lau, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.	cal/mol*K	N/A	Lau, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
0.8	433.	PHPMS	Lau, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M

C₇H₁₀NS + Water = (C₇H₁₀NS • Water )

By formula: C₇H₁₀NS + H₂O = (C₇H₁₀NS • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.6	kcal/mol	PHPMS	Lau, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.	cal/mol*K	N/A	Lau, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
1.1	433.	PHPMS	Lau, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M

C₈H₁₂N⁺ + Water = (C₈H₁₂N⁺ • Water )

By formula: C₈H₁₂N⁺ + H₂O = (C₈H₁₂N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.2	kcal/mol	PHPMS	Lau, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.	cal/mol*K	N/A	Lau, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.7	434.	PHPMS	Lau, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M

+ Water = ( • Water )

By formula: NO^- + H₂O = (NO^- • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	18.5	kcal/mol	PHPMS	French, Hills, et al., 1973	gas phase; M
Δ_rH°	16.6	kcal/mol	PES	Eaton, Arnold, et al., 1990	gas phase; M
Δ_rH°	22.7	kcal/mol	MS	Burdett and Hayhurst, 1982	gas phase; flame source, about 1600 K; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.0	cal/mol*K	PHPMS	French, Hills, et al., 1973	gas phase; M
Δ_rS°	23.9	cal/mol*K	MS	Burdett and Hayhurst, 1982	gas phase; flame source, about 1600 K; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
12.7	296.	SAMS	Puckett and Teague, 1971	gas phase; switching reaction(NO+)NO; M

+ Water = ( • Water )

By formula: CHO₂^- + H₂O = (CHO₂^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.0 ± 1.0	kcal/mol	TDAs	Meot-Ner and Sieck, 1986	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.0	cal/mol*K	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.1 ± 1.6	kcal/mol	TDAs	Meot-Ner and Sieck, 1986	gas phase; B
Δ_rG°	8.40 ± 0.20	kcal/mol	N/A	Viidanoja, Reiner, et al., 2000	gas phase; B
Δ_rG°	9.20 ± 0.30	kcal/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

ClO₂^- + Water = (ClO₂^- • Water )

By formula: ClO₂^- + H₂O = (ClO₂^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.20 ± 0.50	kcal/mol	Ther	Tschurl and Boesl, 2007	gas phase; affinity is difference from ClO2- EA, corrected for calculated neutral BE of 0.09 eV; B
Δ_rH°	16.0 ± 1.5	kcal/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
Δ_rG°	9.00 ± 0.30	kcal/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

( • 3 Water ) + Water = ( • 4 Water )

By formula: (HO^- • 3H₂O) + H₂O = (HO^- • 4H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.0	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1986	gas phase; deuterated; M
Δ_rH°	14.2	kcal/mol	PHPMS	Arshadi and Kebarle, 1970	gas phase; deuterated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.1	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1986	gas phase; deuterated; M
Δ_rS°	29.5	cal/mol*K	PHPMS	Arshadi and Kebarle, 1970	gas phase; deuterated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.6	kcal/mol	FA	Fehsenfeld and Ferguson, 1974	gas phase; M

( • Water ) + Water = ( • 2 Water )

By formula: (O₂^- • H₂O) + H₂O = (O₂^- • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.2 ± 1.0	kcal/mol	TDAs	Arshadi and Kebarle, 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.1	cal/mol*K	PHPMS	Arshadi and Kebarle, 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.70	kcal/mol	TDAs	Arshadi and Kebarle, 1970	gas phase; B
Δ_rG°	8.5 ± 1.0	kcal/mol	IMRE	Payzant J.D. and Kebarle, 1972	gas phase; B
Δ_rG°	9.7 ± 1.0	kcal/mol	IMRE	Pack and Phelps, 1971	gas phase; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.4	300.	PHPMS	Payzant J.D. and Kebarle, 1972	gas phase; M

( • 2 Water ) + Water = ( • 3 Water )

By formula: (Cs⁺ • 2H₂O) + H₂O = (Cs⁺ • 3H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.7	kcal/mol	DT	McKnight and Sawina, 1972	gas phase; Entropy change is questionable; M
Δ_rH°	11.2	kcal/mol	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	16.6	cal/mol*K	DT	McKnight and Sawina, 1972	gas phase; Entropy change is questionable; M
Δ_rS°	23.7	cal/mol*K	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.8	kcal/mol	HPMS	Banic and Iribarne, 1985	gas phase; From thermochemical cycle,switching reaction, electric fields; M

( • 6 Water ) + Water = ( • 7 Water )

By formula: (H₃O⁺ • 6H₂O) + H₂O = (H₃O⁺ • 7H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.7	kcal/mol	CID	Magnera, David, et al., 1991	gas phase; M
Δ_rH°	10.3	kcal/mol	HPMS	Kebarle, Searles, et al., 1967	gas phase; M
Δ_rH°	12.03	kcal/mol	MKER	Shi, Ford, et al., 1993	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.	cal/mol*K	HPMS	Kebarle, Searles, et al., 1967	gas phase; M
Δ_rS°	52.31	cal/mol*K	MKER	Shi, Ford, et al., 1993	gas phase; Entropy change is questionable; M

( • Water ) + Water = ( • 2 Water )

By formula: (NO^- • H₂O) + H₂O = (NO^- • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.70	kcal/mol	N/A	Eaton, Arnold, et al., 1990	gas phase; Vertical Detachment Energy: 1.860±0.020 eV; B,M
Δ_rH°	16.1	kcal/mol	PHPMS	French, Hills, et al., 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.5	cal/mol*K	PHPMS	French, Hills, et al., 1973	gas phase; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.4	293.	HPMS	McAdams and Bone, 1972	gas phase; M
8.5	296.	FA	Howard, Rundle, et al., 1971	gas phase; M
8.5	296.	SAMS	Puckett and Teague, 1971	gas phase; M

( • 4 Water ) + Water = ( • 5 Water )

By formula: (Br^- • 4H₂O) + H₂O = (Br^- • 5H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.80 ± 0.30	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	6.2 ± 2.3	kcal/mol	N/A	Markovich, Pollack, et al., 1994	gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.4	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.3 ± 1.2	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 5 Water ) + Water = ( • 6 Water )

By formula: (Br^- • 5H₂O) + H₂O = (Br^- • 6H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.30 ± 0.50	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	6.0 ± 2.3	kcal/mol	N/A	Markovich, Pollack, et al., 1994	gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.2	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.8 ± 2.1	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

(Mg⁺² • 10 Water ) + Water = (Mg⁺² • 11 Water )

By formula: (Mg⁺² • 10H₂O) + H₂O = (Mg⁺² • 11H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14. ± 3.	kcal/mol	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	N/A	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.2	293.	ES/HPMS	Blades, Klassen, et al., 1995	gas phase; M
7.4	300.	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M

(Mg⁺² • 11 Water ) + Water = (Mg⁺² • 12 Water )

By formula: (Mg⁺² • 11H₂O) + H₂O = (Mg⁺² • 12H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14. ± 3.	kcal/mol	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	N/A	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.6	293.	ES/HPMS	Blades, Klassen, et al., 1995	gas phase; M
7.2	300.	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M

( • 2 Water ) + Water = ( • 3 Water )

By formula: (O₂^- • 2H₂O) + H₂O = (O₂^- • 3H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.4 ± 1.0	kcal/mol	TDAs	Arshadi and Kebarle, 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.2	cal/mol*K	PHPMS	Arshadi and Kebarle, 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.00	kcal/mol	TDAs	Arshadi and Kebarle, 1970	gas phase; B
Δ_rG°	6.1 ± 2.0	kcal/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
5.3	296.	FA	Fehsenfeld and Ferguson, 1974	gas phase; M
7.1	300.	PHPMS	Payzant J.D. and Kebarle, 1972	gas phase; M

( • 2 Water ) + Water = ( • 3 Water )

By formula: (HO^- • 2H₂O) + H₂O = (HO^- • 3H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.2	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1986	gas phase; deuterated; M
Δ_rH°	15.1	kcal/mol	PHPMS	Arshadi and Kebarle, 1970	gas phase; deuterated; M
Δ_rH°	18.	kcal/mol	CID	DePaz, Giardini, et al., 1970	gas phase; deuterated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.1	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1986	gas phase; deuterated; M
Δ_rS°	24.8	cal/mol*K	PHPMS	Arshadi and Kebarle, 1970	gas phase; deuterated; M

( • 2 Water ) + Water = ( • 3 Water )

By formula: (NO₃^- • 2H₂O) + H₂O = (NO₃^- • 3H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.9 ± 1.5	kcal/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δ_rH°	13.8	kcal/mol	HPMS	Lee, Keesee, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	33.2	cal/mol*K	HPMS	Lee, Keesee, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.90 ± 0.30	kcal/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

HO^- + = Water

By formula: HO^- + H⁺ = H₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	390.330 ± 0.010	kcal/mol	D-EA	Smith, Kim, et al., 1997	gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B
Δ_rH°	387.70	kcal/mol	N/A	Check, Faust, et al., 2001	gas phase; MnBr3-; ; ΔS(EA)=1.7; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	383.740 ± 0.060	kcal/mol	H-TS	Smith, Kim, et al., 1997	gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B
Δ_rG°	381.10	kcal/mol	N/A	Check, Faust, et al., 2001	gas phase; MnBr3-; ; ΔS(EA)=1.7; B

( • 2 Water ) + Water = ( • 3 Water )

By formula: (Li⁺ • 2H₂O) + H₂O = (Li⁺ • 3H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	22.5 ± 1.0	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
Δ_rH°	17. ± 3.	kcal/mol	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electrospray; M
Δ_rH°	20.7	kcal/mol	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electrospray; M
Δ_rS°	24.9	cal/mol*K	HPMS	Dzidic and Kebarle, 1970	gas phase; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
10.0	300.	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electrospray; M

+ Water = ( • Water )

By formula: H₄N⁺ + H₂O = (H₄N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.6	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1986	gas phase; M
Δ_rH°	19.9	kcal/mol	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rH°	17.3	kcal/mol	PHPMS	Payzant, Cunningham, et al., 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.6	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1986	gas phase; M
Δ_rS°	23.1	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rS°	19.7	cal/mol*K	PHPMS	Payzant, Cunningham, et al., 1973	gas phase; M

Water + = 2 +

By formula: H₂O + C₅H₁₂O₂ = 2CH₄O + C₃H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.86 ± 0.01	kcal/mol	Cm	Wiberg, Morgan, et al., 1994	liquid phase; ALS
Δ_rH°	4.88 ± 0.01	kcal/mol	Cm	Wiberg and Squires, 1979	liquid phase; Heat of hydrolysis; ALS
Δ_rH°	4.8836 ± 0.0067	kcal/mol	Cm	Wiberg and Squires, 1979, 2	liquid phase; solvent: Water; Hydrolysis; ALS
Δ_rH°	-3.95 ± 0.05	kcal/mol	Cm	Stern and Dorer, 1962	liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 3.69 ± 0.05 kcal/mol; Heat of hydrolysis; ALS

+ Water = ( • Water )

By formula: F^- + H₂O = (F^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	27.40 ± 0.50	kcal/mol	TDAs	Weis, Kemper, et al., 1999	gas phase; B
Δ_rH°	23.30	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.4	cal/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	21.90 ± 0.50	kcal/mol	TDAs	Weis, Kemper, et al., 1999	gas phase; B
Δ_rG°	18.1 ± 2.0	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B

References

Go To: Top, Reaction thermochemistry data, Notes

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Notes

Go To: Top, Reaction thermochemistry data, References

Symbols used in this document:

T Temperature

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions

Δ_rS° Entropy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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T	Temperature
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions