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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Condensed phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, References, Notes

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	-285.830 ± 0.040	kJ/mol	Review	Cox, Wagman, et al., 1984	CODATA Review value
Δ_fH°_liquid	-285.83	kJ/mol	Review	Chase, 1998	Data last reviewed in March, 1979
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	69.95 ± 0.03	J/mol*K	Review	Cox, Wagman, et al., 1984	CODATA Review value
Quantity	Value	Units	Method	Reference	Comment
S°_{liquid,1 bar}	69.95	J/mol*K	Review	Chase, 1998	Data last reviewed in March, 1979

Liquid Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
C_p = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.

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View table.

Temperature (K)	298. to 500.
A	-203.6060
B	1523.290
C	-3196.413
D	2474.455
E	3.855326
F	-256.5478
G	-488.7163
H	-285.8304
Reference	Chase, 1998
Comment	Data last reviewed in March, 1979

Phase change data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References, Notes

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity	Value	Units	Method	Reference	Comment
T_boil	373.17 ± 0.04	K	AVG	N/A	Average of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
P_triple	0.0061	bar	N/A	Sato, Watanabe, et al., 1991	Uncertainty assigned by TRC = 1.×10^-7 bar; TRC
Quantity	Value	Units	Method	Reference	Comment
T_c	647. ± 2.	K	AVG	N/A	Average of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
P_c	220.64	bar	N/A	Sato, Watanabe, et al., 1991	Uncertainty assigned by TRC = 0.05 bar; TRC
P_c	220.60	bar	N/A	Brunner, 1990	Uncertainty assigned by TRC = 0.12 bar; TRC
P_c	220.46	bar	N/A	Morita, Sato, et al., 1989	Uncertainty assigned by TRC = 0.25 bar; based on analysis of their obs. PVT and vapor pressure data some other data from literature; TRC
P_c	220.64	bar	N/A	Aleksandrov, 1986	Uncertainty assigned by TRC = 0.30 bar; TRC
P_c	220.64	bar	N/A	Sifner, 1985	Uncertainty assigned by TRC = 0.0001 bar; TRC
Quantity	Value	Units	Method	Reference	Comment
ρ_c	17.9	mol/l	N/A	Sato, Watanabe, et al., 1991	Uncertainty assigned by TRC = 0.2 mol/l; TRC
ρ_c	17.91	mol/l	N/A	Morita, Sato, et al., 1989	Uncertainty assigned by TRC = 0.083 mol/l; based on analysis of obs. PVT and vapor pressure data; TRC
ρ_c	17.9	mol/l	N/A	Aleksandrov, 1986	Uncertainty assigned by TRC = 0.2 mol/l; TRC
ρ_c	17.9	mol/l	N/A	Sifner, 1985	Uncertainty assigned by TRC = 0.2 mol/l; TRC

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)

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Temperature (K)	A	B	C	Reference	Comment
379. to 573.	3.55959	643.748	-198.043	Liu and Lindsay, 1970	Coefficents calculated by NIST from author's data.
273. to 303.	5.40221	1838.675	-31.737	Bridgeman and Aldrich, 1964	Coefficents calculated by NIST from author's data.
304. to 333.	5.20389	1733.926	-39.485	Bridgeman and Aldrich, 1964	Coefficents calculated by NIST from author's data.
334. to 363.	5.0768	1659.793	-45.854	Bridgeman and Aldrich, 1964	Coefficents calculated by NIST from author's data.
344. to 373.	5.08354	1663.125	-45.622	Bridgeman and Aldrich, 1964	Coefficents calculated by NIST from author's data.
293. to 343.	6.20963	2354.731	7.559	Gubkov, Fermor, et al., 1964	Coefficents calculated by NIST from author's data.
255.9 to 373.	4.6543	1435.264	-64.848	Stull, 1947	Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
MS - José A. Martinho Simões

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Reactions 1 to 50

+ Water = ( • Water )

By formula: Cl^- + H₂O = (Cl^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60. ± 20.	kJ/mol	AVG	N/A	Average of 11 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	81. ± 10.	J/mol*K	AVG	N/A	Average of 8 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	40. ± 20.	kJ/mol	AVG	N/A	Average of 9 values; Individual data points

( • 2 Water ) + Water = ( • 3 Water )

By formula: (H₃O⁺ • 2H₂O) + H₂O = (H₃O⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	73. ± 4.	kJ/mol	AVG	N/A	Average of 9 out of 16 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	118. ± 8.	J/mol*K	AVG	N/A	Average of 6 out of 9 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	39.	kJ/mol	FA	Bierbaum, Golde, et al., 1976	gas phase; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
38.	300.	HPMS	Arifov, Pozharov, et al., 1971	gas phase; M
38.	296.	SAMS	Puckett and Teague, 1971	gas phase; M
35.	300.	PHPMS	Good, Durden, et al., 1970	gas phase; M
35.	307.	PHPMS	Good, Durden, et al., 1970, 2	gas phase; M

+ Water = ( • Water )

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	119.	kJ/mol	PHPMS	Meot-Ner (Mautner), 1984	gas phase; switching reaction(H3O+)H2O; Davidson, Sunner J., et al., 1979, Lias, Liebman, et al., 1984; M
Δ_rH°	117.	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2O)2H+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Yamdagni and Kebarle, 1976, Wolf, Staley, et al., 1977; M
Δ_rH°	119.	kJ/mol	ICR	Berman and Beauchamp, 1980	gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δ_rH°	120.	kJ/mol	FA	Bohme, Mackay, et al., 1979	gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δ_rH°	120.	kJ/mol	FA	Fehsenfeld, Dotan, et al., 1978	gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	113.	J/mol*K	N/A	Berman and Beauchamp, 1980	gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δ_rS°	113.	J/mol*K	N/A	Bohme, Mackay, et al., 1979	gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δ_rS°	112.	J/mol*K	FA	Fehsenfeld, Dotan, et al., 1978	gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	85.4	kJ/mol	ICR	Berman and Beauchamp, 1980	gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δ_rG°	85.8	kJ/mol	FA	Bohme, Mackay, et al., 1979	gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

+ Water = ( • Water )

By formula: H₃O⁺ + H₂O = (H₃O⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	136. ± 9.	kJ/mol	AVG	N/A	Average of 7 out of 14 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120. ± 30.	J/mol*K	AVG	N/A	Average of 5 out of 7 values; Individual data points

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
34.	300.	HPMS	Arifov, Pozharov, et al., 1971	gas phase; M

( • Water ) + Water = ( • 2 Water )

By formula: (H₃O⁺ • H₂O) + H₂O = (H₃O⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	84. ± 5.	kJ/mol	AVG	N/A	Average of 7 out of 14 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	94. ± 20.	J/mol*K	AVG	N/A	Average of 5 out of 7 values; Individual data points

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
36.	300.	HPMS	Arifov, Pozharov, et al., 1971	gas phase; M

( • 3 Water ) + Water = ( • 4 Water )

By formula: (H₃O⁺ • 3H₂O) + H₂O = (H₃O⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56. ± 20.	kJ/mol	AVG	N/A	Average of 6 out of 9 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100. ± 20.	J/mol*K	AVG	N/A	Average of 5 out of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	23.	kJ/mol	FA	Bierbaum, Golde, et al., 1976	gas phase; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
24.	293.	ES/HPMS	Klassen, Blades, et al., 1995	gas phase; M
23.	296.	SAMS	Puckett and Teague, 1971	gas phase; M
21.	300.	PHPMS	Good, Durden, et al., 1970	gas phase; M
21.	307.	PHPMS	Good, Durden, et al., 1970, 2	gas phase; M
29.	300.	HPMS	Arifov, Pozharov, et al., 1971	gas phase; M

+ Water = ( • Water )

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	61.09 ± 0.84	kJ/mol	N/A	Lee, Keesee, et al., 1980	gas phase; B,M
Δ_rH°	59.0 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δ_rH°	51.88	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B,M
Δ_rH°	61.9	kJ/mol	ATM	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M
Δ_rH°	80.3	kJ/mol	FA	Bohringer, Fahey, et al., 1984	gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	105.	J/mol*K	HPMS	Lee, Keesee, et al., 1980	gas phase; M
Δ_rS°	100.	J/mol*K	N/A	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M
Δ_rS°	89.1	J/mol*K	FA	Bohringer, Fahey, et al., 1984	gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Δ_rS°	79.9	J/mol*K	HPMS	Payzant, Yamdagni, et al., 1971	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	30.1 ± 1.3	kJ/mol	TDAs	Lee, Keesee, et al., 1980	gas phase; B
Δ_rG°	29.7 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δ_rG°	30.5 ± 0.42	kJ/mol	TDAs	Banic and Iribarne, 1985	gas phase; B
Δ_rG°	28.0	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
37.	250.	ATM	Arnold and Qiu, 1984	gas phase; Entropy change calculated or estimated; M
28.	296.	FA	Fehsenfeld and Ferguson, 1974	gas phase; M
29.	300.	SAMS	Payzant, Cunningham, et al., 1972	gas phase; M

+ Water = ( • Water )

By formula: NO₂^- + H₂O = (NO₂^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	65. ± 20.	kJ/mol	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	84.9	J/mol*K	PHPMS	Sieck, 1985	gas phase; M
Δ_rS°	83.7	J/mol*K	FA	Bohringer, Fahey, et al., 1984	gas phase; switching reaction(NO2-)H2O; Lee, Keesee, et al., 1980; M
Δ_rS°	99.6	J/mol*K	HPMS	Lee, Keesee, et al., 1980	gas phase; M
Δ_rS°	88.	J/mol*K	HPMS	Payzant, Yamdagni, et al., 1971	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	35.6 ± 0.84	kJ/mol	TDAs	Sieck, 1985	gas phase; B
Δ_rG°	35.6 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δ_rG°	34. ± 24.	kJ/mol	Endo	Paulson and Dale, 1982	gas phase; B
Δ_rG°	33.9 ± 0.84	kJ/mol	TDAs	Lee, Keesee, et al., 1980	gas phase; B
Δ_rG°	33.5	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
33.	296.	FA	Fehsenfeld and Ferguson, 1974	gas phase; M
35.	300.	SAMS	Payzant, Cunningham, et al., 1972	gas phase; M

( • 3 Water ) + Water = ( • 4 Water )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	55. ± 4.	kJ/mol	AVG	N/A	Average of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	99. ± 10.	J/mol*K	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26.	kJ/mol	ES/HPMS	Blades, Klassen, et al., 1996	gas phase; M

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
54.8 (+5.9,-0.)		CID	Dalleska, Tjelta, et al., 1994	gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

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

( • 2 Water ) + Water = ( • 3 Water )

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48. ± 7.	kJ/mol	AVG	N/A	Average of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	93.3	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	93.7	J/mol*K	HPMS	Keesee and Castleman, 1980	gas phase; M
Δ_rS°	97.1	J/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	21. ± 2.	kJ/mol	AVG	N/A	Average of 6 values; Individual data points

+ Water = ( • Water )

By formula: I^- + H₂O = (I^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	43. ± 3.	kJ/mol	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	64.0	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	80.8	J/mol*K	HPMS	Keesee and Castleman, 1980	gas phase; M
Δ_rS°	68.2	J/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	23. ± 1.	kJ/mol	AVG	N/A	Average of 6 values; Individual data points

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
22.	300.	HPMS	Banic and Iribarne, 1985	gas phase; electric fields; M

( • Water ) + Water = ( • 2 Water )

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	41.4 ± 0.84	kJ/mol	TDAs	Keesee and Castleman, 1980	gas phase; B,M
Δ_rH°	39.7	kJ/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°	39.7 ± 0.84	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	41. ± 4.2	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
Δ_rH°	41. ± 4.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	73.6	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	84.9	J/mol*K	HPMS	Keesee and Castleman, 1980	gas phase; M
Δ_rS°	79.5	J/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	17. ± 2.	kJ/mol	AVG	N/A	Average of 6 values; Individual data points

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
17.	300.	HPMS	Banic and Iribarne, 1985	gas phase; electric fields; M

( • Water ) + Water = ( • 2 Water )

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	53. ± 5.	kJ/mol	AVG	N/A	Average of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	89.5	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	85.8	J/mol*K	HPMS	Keesee and Castleman, 1980	gas phase; M
Δ_rS°	87.0	J/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	28. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rG°	27.2	kJ/mol	TDAs	Keesee and Castleman, 1980	gas phase; B
Δ_rG°	27. ± 5.9	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
Δ_rG°	27.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
Δ_rG°	28.	kJ/mol	FA	Fehsenfeld and Ferguson, 1974	gas phase; M

( • Water ) + Water = ( • 2 Water )

By formula: (CH₃O⁺ • H₂O) + H₂O = (CH₃O⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	90.0	kJ/mol	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rH°	83.3	kJ/mol	FA	Bohme, Mackay, et al., 1979	gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δ_rH°	82.8	kJ/mol	FA	Fehsenfeld, Dotan, et al., 1978	gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	113.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rS°	110.	J/mol*K	N/A	Bohme, Mackay, et al., 1979	gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δ_rS°	110.	J/mol*K	FA	Fehsenfeld, Dotan, et al., 1978	gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	50.6	kJ/mol	FA	Bohme, Mackay, et al., 1979	gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

( • 2 Water ) + Water = ( • 3 Water )

By formula: (CH₃O⁺ • 2H₂O) + H₂O = (CH₃O⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	73.6	kJ/mol	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rH°	70.7	kJ/mol	FA	Bohme, Mackay, et al., 1979	gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δ_rH°	71.1	kJ/mol	FA	Fehsenfeld, Dotan, et al., 1978	gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	107.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1984	gas phase; M
Δ_rS°	109.	J/mol*K	N/A	Bohme, Mackay, et al., 1979	gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Δ_rS°	109.	J/mol*K	FA	Fehsenfeld, Dotan, et al., 1978	gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	38.	kJ/mol	FA	Bohme, Mackay, et al., 1979	gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

( • 4 Water ) + Water = ( • 5 Water )

By formula: (H₃O⁺ • 4H₂O) + H₂O = (H₃O⁺ • 5H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50. ± 8.	kJ/mol	AVG	N/A	Average of 5 out of 8 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	102. ± 20.	J/mol*K	AVG	N/A	Average of 4 out of 6 values; Individual data points

Free energy of reaction

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

( • Water ) + Water = ( • 2 Water )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	79. ± 8.	kJ/mol	AVG	N/A	Average of 8 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	92.9	J/mol*K	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rS°	96.	J/mol*K	N/A	Blades, Jayaweera, et al., 1990	gas phase; electrospray, Entropy change calculated or estimated; M

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
82.0 (+5.9,-0.)		CID	Dalleska, Tjelta, et al., 1994	gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

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

( • 2 Water ) + Water = ( • 3 Water )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.3	kJ/mol	HPMS	Tang, Lian, et al., 1976	gas phase; M
Δ_rH°	66.1	kJ/mol	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rH°	69.9 ± 5.9	kJ/mol	CIDT	Rodgers and Armentrout, 2000	RCD
Δ_rH°	67.4	kJ/mol	ES/HPMS	Blades, Klassen, et al., 1996	gas phase; M
Δ_rH°	70. ± 10.	kJ/mol	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electrospray, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	87.0	J/mol*K	HPMS	Tang, Lian, et al., 1976	gas phase; M
Δ_rS°	91.6	J/mol*K	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rS°	92.0	J/mol*K	ES/HPMS	Blades, Klassen, et al., 1996	gas phase; M
Δ_rS°	96.	J/mol*K	N/A	Blades, Jayaweera, et al., 1990	gas phase; electrospray, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	40.	kJ/mol	ES/HPMS	Blades, Klassen, et al., 1996	gas phase; M

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
70.3 (+5.9,-0.)		CID	Dalleska, Tjelta, et al., 1994	gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

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

( • 3 Water ) + Water = ( • 4 Water )

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	44.4 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rH°	40.6	kJ/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°	44. ± 1.	kJ/mol	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rH°	45.6 ± 2.9	kJ/mol	TDAs	Keesee and Castleman, 1980	gas phase; B,M
Δ_rH°	46.4 ± 4.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	95.0	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	104.	J/mol*K	HPMS	Keesee and Castleman, 1980	gas phase; M
Δ_rS°	108.	J/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	16. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rG°	14.6	kJ/mol	TDAs	Keesee and Castleman, 1980	gas phase; B
Δ_rG°	14.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
Δ_rG°	17. ± 8.4	kJ/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

( • Water ) + Water = ( • 2 Water )

By formula: (NO₂^- • H₂O) + H₂O = (NO₂^- • 2H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.4 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δ_rH°	54.0 ± 4.2	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B,M
Δ_rH°	54.0 ± 4.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
Δ_rH°	56.9	kJ/mol	HPMS	Lee, Keesee, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	HPMS	Lee, Keesee, et al., 1980	gas phase; M
Δ_rS°	99.2	J/mol*K	HPMS	Payzant, Yamdagni, et al., 1971	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	25.1 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δ_rG°	24. ± 5.9	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
Δ_rG°	24.3	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
Δ_rG°	26. ± 8.4	kJ/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
25.	296.	FA	Fehsenfeld and Ferguson, 1974	gas phase; M
24.	300.	SAMS	Payzant, Cunningham, et al., 1972	gas phase; M

( • Water ) + Water = ( • 2 Water )

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	72.8	kJ/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1986	gas phase; Δ_rH?, Entropy change is questionable, appear out of line; M
Δ_rH°	57.3	kJ/mol	PHPMS	Meot-Ner (Mautner), 1984	gas phase; Entropy change calculated or estimated; Δ_rH of 51.9 kJ/mol from plot is too small; M
Δ_rH°	61.5	kJ/mol	PHPMS	Payzant, Cunningham, et al., 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1986	gas phase; Δ_rH?, Entropy change is questionable, appear out of line; M
Δ_rS°	92.0	J/mol*K	N/A	Meot-Ner (Mautner), 1984	gas phase; Entropy change calculated or estimated; Δ_rH of 51.9 kJ/mol from plot is too small; M
Δ_rS°	91.6	J/mol*K	PHPMS	Payzant, Cunningham, et al., 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	37.	kJ/mol	HPMS	Banic and Iribarne, 1985	gas phase; electric fields; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
19.	414.	PHPMS	Meot-Ner (Mautner), 1984	gas phase; Entropy change calculated or estimated; Δ_rH of 51.9 kJ/mol from plot is too small; M

C₁₆H₃₄OP₂Ru (solution) + (solution) = C₂₈H₄₃NP₂Ru (solution) + Water (solution)

By formula: C₁₆H₃₄OP₂Ru (solution) + C₁₂H₁₁N (solution) = C₂₈H₄₃NP₂Ru (solution) + H₂O (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	5.0 ± 0.4	kJ/mol	EqS	Bryndza, Fong, et al., 1987	solvent: Tetrahydrofuran; In a series of reactions involving similar ruthenium complexes, the reaction enthalpy was identified with the reaction Gibbs energy, since the entropy values are expected to be small Bryndza, Fong, et al., 1987. For this reaction, however a van't Hoff plot could be used. Temperature range: 293-328 K; MS
Δ_rH°	19.7	kJ/mol	EqS	Bryndza, Fong, et al., 1987	solvent: Benzene; The reaction enthalpy was identified with the reaction Gibbs energy, since the the entropy is expected to be small Bryndza, Fong, et al., 1987; MS

+ Water = ( • Water )

By formula: C₂H₃O₂^- + H₂O = (C₂H₃O₂^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	68.6 ± 3.3	kJ/mol	TDAs	Wincel, 2008	gas phase; B
Δ_rH°	66.5 ± 4.2	kJ/mol	N/A	Meot-ner, Elmore, et al., 1999	gas phase; B
Δ_rH°	66.9 ± 4.2	kJ/mol	N/A	Meot-Ner and Sieck, 1986	gas phase; B,M
Δ_rH°	68.6 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δ_rH°	66.1	kJ/mol	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	84.9	J/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Δ_rS°	94.1	J/mol*K	PHPMS	Meot-Ner and Sieck, 1986	gas phase; ion given as C2H3COO- in paper by error; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	38. ± 5.9	kJ/mol	N/A	Wincel, 2008	gas phase; B
Δ_rG°	39.8	kJ/mol	TDAs	Meot-ner, Elmore, et al., 1999	gas phase; B
Δ_rG°	39. ± 6.7	kJ/mol	TDAs	Meot-Ner and Sieck, 1986	gas phase; B
Δ_rG°	39.3 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

( • 2 Water ) + Water = ( • 3 Water )

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	38.9 ± 1.3	kJ/mol	TDAs	Keesee and Castleman, 1980	gas phase; B,M
Δ_rH°	36. ± 9.6	kJ/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°	38.5 ± 0.84	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	39. ± 4.2	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
Δ_rH°	39. ± 4.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	85.4	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	87.9	J/mol*K	HPMS	Keesee and Castleman, 1980	gas phase; M
Δ_rS°	89.1	J/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	12.6	kJ/mol	TDAs	Keesee and Castleman, 1980	gas phase; B
Δ_rG°	13.0 ± 3.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	14. ± 8.4	kJ/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

C₂H₅NaO (cr) + 0.5( • 1100 Water ) (solution) = (solution) + 0.5 (solution)

By formula: C₂H₅NaO (cr) + 0.5(H₂O₄S • 1100H₂O) (solution) = C₂H₆O (solution) + 0.5Na₂O₄S (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-118.4 ± 3.8	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 9.97±0.04 for the enthalpy of solution of Na2SO4(cr) Blanchard, Joly, et al., 1974. A value of -490.8 ± 5.9 kJ/mol was derived in Blanchard, Joly, et al., 1974 for the enthalpy of formation. However, this value is affected by a calculation error. Also, the authors have not accounted for the acid dilution (this correction could not be made in the present database, due to lack of information). These problems were also noted in the data compilations Tel'noi and Rabinovich, 1980 and Wagman, Evans W.H., et al., 1982, where the values quoted for the enthalpy of formation, which rely on the experimental data reported in Blanchard, Joly, et al., 1974, are -410.0 ± 4.2 kJ/mol and -413.8 kJ/mol, respectively. See also comments in Liebman, Martinho Simões, et al., 1995; MS

+ Water = ( • Water )

By formula: K⁺ + H₂O = (K⁺ • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	70.7	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Δ_rH°	70. ± 10.	kJ/mol	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Δ_rH°	81. ± 10.	kJ/mol	MS	Burdett and Hayhurst, 1982	gas phase; flame source, about 1600 K; M
Δ_rH°	74.9	kJ/mol	HPMS	Searles and Kebarle, 1969	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	83.3	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M
Δ_rS°	96.	J/mol*K	N/A	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Δ_rS°	89.1	J/mol*K	MS	Burdett and Hayhurst, 1982	gas phase; flame source, about 1600 K; M
Δ_rS°	90.4	J/mol*K	HPMS	Searles and Kebarle, 1969	gas phase; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
38.	300.	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
2.	840.	MS	Chupka, 1959	gas phase; Knudsen cell, 840+-50K; M

( • Water ) + Water = ( • 2 Water )

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.5 ± 1.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	51.04	kJ/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°	51.5 ± 4.2	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
Δ_rH°	51.5 ± 4.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	75.3	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	95.8	J/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26. ± 4.2	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	23. ± 5.9	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
Δ_rG°	22.6	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
Δ_rG°	24. ± 8.4	kJ/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

CN^- + Water = (CN^- • Water )

By formula: CN^- + H₂O = (CN^- • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	53.1 ± 3.3	kJ/mol	TDAs	Larson, Szulejko, et al., 1988	gas phase; B,M
Δ_rH°	61.1 ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B,B,M,M
Δ_rH°	57.74	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B,M
Δ_rH°	61.1	kJ/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	82.0	J/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rS°	75.	J/mol*K	PHPMS	Larson, Szulejko, et al., 1988	gas phase; M
Δ_rS°	82.0	J/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Δ_rS°	82.0	J/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M
Δ_rS°	82.8	J/mol*K	HPMS	Payzant, Yamdagni, et al., 1971	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	30.5 ± 0.84	kJ/mol	TDAs	Larson, Szulejko, et al., 1988	gas phase; B
Δ_rG°	36. ± 4.2	kJ/mol	TDAs	Meot-ner, 1988	gas phase; B
Δ_rG°	36. ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B
Δ_rG°	33.1	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B

( • 2 Water ) + Water = ( • 3 Water )

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	47.7 ± 1.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	28.9	kJ/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°	48.1 ± 4.2	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
Δ_rH°	48.1 ± 4.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	94.1	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	104.	J/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	20. ± 4.6	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	17. ± 5.9	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
Δ_rG°	17.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
Δ_rG°	18. ± 8.4	kJ/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

( • 2 Water ) + Water = ( • 3 Water )

By formula: (NO₂^- • 2H₂O) + H₂O = (NO₂^- • 3H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.1 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δ_rH°	43.5 ± 4.2	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B,M
Δ_rH°	43.5 ± 4.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
Δ_rH°	49.0	kJ/mol	HPMS	Lee, Keesee, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	108.	J/mol*K	HPMS	Lee, Keesee, et al., 1980	gas phase; M
Δ_rS°	88.7	J/mol*K	HPMS	Payzant, Yamdagni, et al., 1971	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18.8 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δ_rG°	17. ± 5.9	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
Δ_rG°	17.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
Δ_rG°	19. ± 8.4	kJ/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

+ Water = ( • Water )

By formula: Br^- + H₂O = (Br^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	53.14	kJ/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°	49.0 ± 1.7	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	52.72	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Δ_rH°	53.1	kJ/mol	HPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	61.5	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	77.0	J/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Δ_rS°	82.8	J/mol*K	MS	Burdett and Hayhurst, 1982	gas phase; FLAME SOURCE, 1600 K; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	30.5 ± 3.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	29. ± 12.	kJ/mol	TDAs	Burdett and Hayhurst, 1982	gas phase; B
Δ_rG°	29. ± 8.4	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B

CH₂N⁺ + Water = (CH₂N⁺ • Water )

By formula: CH₂N⁺ + H₂O = (CH₂N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	115.	kJ/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rH°	124.	kJ/mol	ICR	Berman and Beauchamp, 1980	gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	101.	J/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rS°	120.	J/mol*K	N/A	Berman and Beauchamp, 1980	gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
87.9	300.	ICR	Berman and Beauchamp, 1980	gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

+ Water = ( • Water )

By formula: HO^- + H₂O = (HO^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	113. ± 4.	kJ/mol	AVG	N/A	Average of 3 out of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	118.	J/mol*K	PHPMS	Paul and Kebarle, 1990	gas phase; M
Δ_rS°	91.2	J/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1986	gas phase; deuterated; M
Δ_rS°	87.0	J/mol*K	HPMS	Payzant, Yamdagni, et al., 1971	gas phase; M
Δ_rS°	79.9	J/mol*K	PHPMS	Arshadi and Kebarle, 1970	gas phase; deuterated; M

HO^- + Water = (HO^- • Water )

By formula: HO^- + H₂O = (HO^- • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	120. ± 30.	kJ/mol	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	80.3 ± 4.2	kJ/mol	TDAs	Paul and Kebarle, 1990	gas phase; B
Δ_rG°	84.1 ± 6.7	kJ/mol	TDEq	Meot-Ner and Sieck, 1986	gas phase; B
Δ_rG°	83.7 ± 5.9	kJ/mol	TDAs	Meot-Ner (Mautner) and Speller, 1986	gas phase; B
Δ_rG°	77.82	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B

( • Water ) + Water = ( • 2 Water )

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	80.3 ± 2.1	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Stated electron affinity is the Vertical Detachment Energy; B,M
Δ_rH°	69.5 ± 4.2	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
Δ_rH°	69.5 ± 4.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	92.9	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	78.2	J/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	52.3 ± 6.7	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Stated electron affinity is the Vertical Detachment Energy; B
Δ_rG°	46.0 ± 5.9	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
Δ_rG°	46.02	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B

( • 2 Water ) + Water = ( • 3 Water )

By formula: (C₂H₃O₂^- • 2H₂O) + H₂O = (C₂H₃O₂^- • 3H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	49.4 ± 4.2	kJ/mol	N/A	Meot-ner, Elmore, et al., 1999	gas phase; B
Δ_rH°	51.0 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δ_rH°	49.4	kJ/mol	PHPMS	Meot-ner, 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	84.	J/mol*K	N/A	Meot-ner, 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	24.4	kJ/mol	TDAs	Meot-ner, Elmore, et al., 1999	gas phase; B
Δ_rG°	21.8 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δ_rG°	25.	kJ/mol	PHPMS	Meot-ner, 1988	gas phase; Entropy change calculated or estimated; M

( • 3 Water ) + Water = ( • 4 Water )

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.02 ± 0.84	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	26. ± 9.6	kJ/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°	45.6 ± 4.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	112.	J/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13.0 ± 2.9	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	12.1	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
Δ_rG°	14. ± 8.4	kJ/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

O₃P^- + Water = (O₃P^- • Water )

By formula: O₃P^- + H₂O = (O₃P^- • H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.0 ± 1.3	kJ/mol	TDAs	Keesee and Castleman Jr., 1989	gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B,M,M
Δ_rH°	52.7	kJ/mol	ES/HPMS	Blades, Ho, et al., 1996, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	87.0	J/mol*K	ES/HPMS	Blades, Ho, et al., 1996, 2	gas phase; M
Δ_rS°	92.9	J/mol*K	HPMS	Keesee and Castleman Jr., 1989	gas phase; M
Δ_rS°	87.0	J/mol*K	HPMS	Keesee and Castleman Jr., 1989	gas phase; deuterated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26. ± 5.0	kJ/mol	TDAs	Keesee and Castleman Jr., 1989	gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B
Δ_rG°	27.	kJ/mol	ES/HPMS	Blades, Ho, et al., 1996, 2	gas phase; M

+ Water = ( • Water )

By formula: Na⁺ + H₂O = (Na⁺ • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	100.	kJ/mol	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rH°	87.9 ± 5.9	kJ/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	82.0 ± 5.9	kJ/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	95.0 ± 7.9	kJ/mol	CIDT	Rodgers and Armentrout, 2000	RCD
Δ_rH°	111.	kJ/mol	MS	Burdett and Hayhurst, 1982	gas phase; flame source, 1600 K; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	90.0	J/mol*K	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rS°	92.	J/mol*K	MS	Burdett and Hayhurst, 1982	gas phase; flame source, 1600 K; M

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
94.6 (+7.5,-0.)		CID	Dalleska, Tjelta, et al., 1994	gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
65.7	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD

( • 2 Water ) + Water = ( • 3 Water )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.4	kJ/mol	ES/HPMS	Blades, Klassen, et al., 1996	gas phase; M
Δ_rH°	60. ± 10.	kJ/mol	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Δ_rH°	55.2	kJ/mol	HPMS	Searles and Kebarle, 1969	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	94.1	J/mol*K	ES/HPMS	Blades, Klassen, et al., 1996	gas phase; M
Δ_rS°	96.	J/mol*K	N/A	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Δ_rS°	96.2	J/mol*K	HPMS	Searles and Kebarle, 1969	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26.	kJ/mol	ES/HPMS	Blades, Klassen, et al., 1996	gas phase; M

Free energy of reaction

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

( • Water ) + Water = ( • 2 Water )

By formula: (C₂H₃O₂^- • H₂O) + H₂O = (C₂H₃O₂^- • 2H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.0 ± 4.2	kJ/mol	N/A	Meot-ner, Elmore, et al., 1999	gas phase; B
Δ_rH°	57.7 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δ_rH°	53.6	kJ/mol	PHPMS	Meot-ner, 1988	gas phase; M
Δ_rH°	54.0	kJ/mol	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	79.9	J/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Δ_rS°	85.8	J/mol*K	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	29.3	kJ/mol	TDAs	Meot-ner, Elmore, et al., 1999	gas phase; B
Δ_rG°	28.5 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

( • 6 Water ) + Water = ( • 7 Water )

By formula: (Cl^- • 6H₂O) + H₂O = (Cl^- • 7H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	34. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B
Δ_rH°	28.9	kJ/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°	34.	kJ/mol	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	84.	J/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°	8.8 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B

+ Water = ( • Water )

By formula: Rb⁺ + H₂O = (Rb⁺ • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.5	kJ/mol	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rH°	70. ± 10.	kJ/mol	HPMS	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Δ_rH°	66.9	kJ/mol	MS	Burdett and Hayhurst, 1982	gas phase; flame source, about 1600 K; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	88.7	J/mol*K	HPMS	Dzidic and Kebarle, 1970	gas phase; M
Δ_rS°	96.	J/mol*K	N/A	Blades, Jayaweera, et al., 1990	gas phase; electospray, Entropy change calculated or estimated; M
Δ_rS°	84.1	J/mol*K	MS	Burdett and Hayhurst, 1982	gas phase; flame source, about 1600 K; M

Free energy of reaction

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

( • Water ) + Water = ( • 2 Water )

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	51.0 ± 6.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δ_rH°	59.8	kJ/mol	HPMS	Lee, Keesee, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	127.	J/mol*K	HPMS	Lee, Keesee, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	21.8 ± 1.3	kJ/mol	TDAs	Blades, Klassen, et al., 1995	gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δ_rG°	21.8 ± 0.42	kJ/mol	TDAs	Banic and Iribarne, 1985	gas phase; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
22.	301.	HPMS	Banic and Iribarne, 1985	gas phase; electric fields; M
21.	296.	FA	Fehsenfeld and Ferguson, 1974	gas phase; M

C₄H₆N⁺ + Water = (C₄H₆N⁺ • Water )

By formula: C₄H₆N⁺ + H₂O = (C₄H₆N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	58.6	kJ/mol	PHPMS	Nicol, Sunner, et al., 1988	gas phase; M
Δ_rH°	57.7	kJ/mol	PHPMS	Hiraoka, Takimoto, et al., 1987	gas phase; M
Δ_rH°	67.	kJ/mol	PHPMS	Meot-Ner (Mautner), Ross, et al., 1985	gas phase; Entropy change calculated or estimated, Δ_rH<; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	97.5	J/mol*K	PHPMS	Nicol, Sunner, et al., 1988	gas phase; M
Δ_rS°	92.0	J/mol*K	PHPMS	Hiraoka, Takimoto, et al., 1987	gas phase; M
Δ_rS°	130.	J/mol*K	N/A	Meot-Ner (Mautner), Ross, et al., 1985	gas phase; Entropy change calculated or estimated, Δ_rH<; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
21.	344.	PHPMS	Meot-Ner (Mautner), Ross, et al., 1985	gas phase; Entropy change calculated or estimated, Δ_rH<; M

C₂H₂F₃O₂⁺ + Water = (C₂H₂F₃O₂⁺ • Water )

By formula: C₂H₂F₃O₂⁺ + H₂O = (C₂H₂F₃O₂⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	118.	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	97.5	J/mol*K	N/A	Larson and McMahon, 1982	gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
89.5	309.	ICR	Larson and McMahon, 1982	gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C₄H₅O⁺ + Water = (C₄H₅O⁺ • Water )

By formula: C₄H₅O⁺ + H₂O = (C₄H₅O⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	43.5	kJ/mol	PHPMS	Nicol, Sunner, et al., 1988	gas phase; M
Δ_rH°	42.7	kJ/mol	PHPMS	Hiraoka, Takimoto, et al., 1987	gas phase; M
Δ_rH°	67.	kJ/mol	PHPMS	Meot-Ner (Mautner), Ross, et al., 1985	gas phase; Entropy change calculated or estimated, Δ_rH<; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	84.	J/mol*K	PHPMS	Nicol, Sunner, et al., 1988	gas phase; M
Δ_rS°	82.4	J/mol*K	PHPMS	Hiraoka, Takimoto, et al., 1987	gas phase; M
Δ_rS°	130.	J/mol*K	N/A	Meot-Ner (Mautner), Ross, et al., 1985	gas phase; Entropy change calculated or estimated, Δ_rH<; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
18.	382.	PHPMS	Meot-Ner (Mautner), Ross, et al., 1985	gas phase; Entropy change calculated or estimated, Δ_rH<; M

( • 2 Water ) + Water = ( • 3 Water )

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	64.0 ± 1.7	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	57.3 ± 4.2	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
Δ_rH°	57.3 ± 4.2	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	95.8	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	85.4	J/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	35. ± 5.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	32. ± 5.9	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
Δ_rG°	31.8	kJ/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B

( • Water ) + Water = ( • 2 Water )

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	73.6	kJ/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1986	gas phase; deuterated; M
Δ_rH°	75.	kJ/mol	CID	Hierl and Paulson, 1984	gas phase; M
Δ_rH°	74.9	kJ/mol	HPMS	Payzant, Yamdagni, et al., 1971	gas phase; M
Δ_rH°	68.6	kJ/mol	PHPMS	Arshadi and Kebarle, 1970	gas phase; deuterated; M
Δ_rH°	96.	kJ/mol	CID	DePaz, Giardini, et al., 1970	gas phase; deuterated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	89.5	J/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1986	gas phase; deuterated; M
Δ_rS°	88.7	J/mol*K	HPMS	Payzant, Yamdagni, et al., 1971	gas phase; M
Δ_rS°	80.8	J/mol*K	PHPMS	Arshadi and Kebarle, 1970	gas phase; deuterated; M

C₂H₄F₃O⁺ + Water = (C₂H₄F₃O⁺ • Water )

By formula: C₂H₄F₃O⁺ + H₂O = (C₂H₄F₃O⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	128.	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	99.6	J/mol*K	N/A	Larson and McMahon, 1982	gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
97.9	309.	ICR	Larson and McMahon, 1982	gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Notes

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Sato, Watanabe, et al., 1991
Sato, H.; Watanabe, K.; Levelt Sengers, J.M.H.; Gallagher, J.S.; Hill, P.G.; Straub, J.; Wagner, W., Sixteen Thousand Evaluated Experimental Thermodynamic Property Data for Water and Steam, J. Phys. Chem. Ref. Data, 1991, 20, 1023. [all data]

Brunner, 1990
Brunner, E., Fluid Mixtures at High Pressures. 9. Phase Separation and Critical Phenomena in 23 (n-Alkane + Water) Mixtures., J. Chem. Thermodyn., 1990, 22, 335. [all data]

Morita, Sato, et al., 1989
Morita, T.; Sato, H.; Uematsu, M.; Watanabe, K., PVT Properties and Vapor-Pressures of Ordinary Water Substance in the Critical Region, Physica A: (Amsterdam), 1989, 156, 436. [all data]

Aleksandrov, 1986
Aleksandrov, A.A., Critical Parameters of Ordinary and Heavy Water, Teploenergetika, 1986, No. 1, 74. [all data]

Sifner, 1985
Sifner, O., Recommended Values of Critical Parameters of Ordinary and Heavy Water, Chem. Listy, 1985, 79, 199. [all data]

Liu and Lindsay, 1970
Liu, C.-T.; Lindsay, W.T., Jr., Vapor Pressure of D₂O from 106 to 300 ºC, J. Chem. Eng. Data, 1970, 15, 4, 510-513, https://doi.org/10.1021/je60047a015 . [all data]

Bridgeman and Aldrich, 1964
Bridgeman, O.C.; Aldrich, E.W., Vapor Pressure Tables for Water, J. Heat Transfer, 1964, 86, 2, 279-286, https://doi.org/10.1115/1.3687121 . [all data]

Gubkov, Fermor, et al., 1964
Gubkov, A.N.; Fermor, N.A.; Smirnov, N.I., Vapor Pressure of Mono-Poly Systems, Zh. Prikl. Khim. (Leningrad), 1964, 37, 2204-2210. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Bierbaum, Golde, et al., 1976
Bierbaum, V.M.; Golde, M.F.; Kaufman, F., Flowing Afterglow Studies of Hydronium Ion Clustering Including Diffusion Effects, J. Chem. Phys., 1976, 65, 7, 2715, https://doi.org/10.1063/1.433415 . [all data]

Arifov, Pozharov, et al., 1971
Arifov, U.A.; Pozharov, S.L.; Chernov, I.G., High Energy Chem., 1971, 5, 1. [all data]

Puckett and Teague, 1971
Puckett, L.J.; Teague, A.W., Production of H3O+.nH2O from NO+ Precursor in NO - H2O Gas Mixtures, J. Chem. Phys., 1971, 54, 6, 2564, https://doi.org/10.1063/1.1675213 . [all data]

Good, Durden, et al., 1970
Good, A.; Durden, D.A.; Kebarle, P., Ion-Molecule Reactions in Pure Nitrogen and Nitrogen Containing Traces of Water at Total Pressures 0.5 - 4 torr. Kinetics of Clustering Reactions Forming H+(H2O)n, J. Chem. Phys., 1970, 52, 1, 212, https://doi.org/10.1063/1.1672667 . [all data]

Good, Durden, et al., 1970, 2
Good, A.; Durden, D.A.; Kebarle, P., Mechanism and Rate Constants of Ion-Molecule Reactions Leading to Formation of H+(H2O)n in Moist Oxygen and Air, J. Chem. Phys., 1970, 52, 1, 222, https://doi.org/10.1063/1.1672668 . [all data]

Meot-Ner (Mautner), 1984
Meot-Ner (Mautner), M., The Ionic Hydrogen Bond and Ion Solvation. 2. Hydration of Onium Ions by 1 - 7 H2O Molecules. Relations Between Monomolecular, Specific and Bulk Hydration, J. Am. Chem. Soc., 1984, 106, 5, 1265, https://doi.org/10.1021/ja00317a016 . [all data]

Davidson, Sunner J., et al., 1979
Davidson, W.R.; Sunner J.; Kebarle, P., Hydrogen Bonding of Water to Onium Ions. Hydration of Substituted Pyridinium Ions and Related Systems, J. Am. Chem. Soc., 1979, 101, 7, 1675, https://doi.org/10.1021/ja00501a005 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B., Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements, J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016 . [all data]

Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]

Yamdagni and Kebarle, 1976
Yamdagni, R.; Kebarle, P., Gas Phase Basicities and Proton Affinities of Compounds Between Water Ammonia and Substituted Benzenes from a Continuous Ladder of Proton Transfer Equilibrium Measurements, J. Am. Chem. Soc., 1976, 98, 6, 1320, https://doi.org/10.1021/ja00422a005 . [all data]

Wolf, Staley, et al., 1977
Wolf, J.F.; Staley, R.H.; Koppel, I.; Taagepera, M.; McIver, R.T.; Beauchamp, J.L.; Taft, R.W., Gas Phase Basicities and Relative Proton Affinities of Compounds Between Water and Ammonia from Pulsed Ion Cyclotron Resonance Thermal Equilibria Measurements, J. Am. Chem. Soc., 1977, 99, 16, 5417, https://doi.org/10.1021/ja00458a032 . [all data]

Berman and Beauchamp, 1980
Berman, D.W.; Beauchamp, J.L., A Novel Bimolecular Reaction Sequence Yielding H(OH2)2+ at Low Pressures. Ion Cyclotron Resonance Studies of the Reaction of Doubly Solvated Protons, J. Phys. Chem., 1980, 84, 18, 2233, https://doi.org/10.1021/j100455a004 . [all data]

Fehsenfeld, Dotan, et al., 1978
Fehsenfeld, F.C.; Dotan, I.; Albritton, D.L.; Howard, C.J.; Ferguson, E.E., Stratospheric Positive Ion Chemistry of Formaldehyde and Methanol, J. Geophys. Res., 1978, 83, C3, 1333, https://doi.org/10.1029/JC083iC03p01333 . [all data]

Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M., Intermolecular Forces in Organic Clusters, J. Am. Chem. Soc., 1992, 114, 9, 3312, https://doi.org/10.1021/ja00035a024 . [all data]

Bohme, Mackay, et al., 1979
Bohme, D.K.; Mackay, G.I.; Tanner, S.D., An Experimental Study of the Gas - Phase Kinetics of Reactions with Hydrated H3O+ Ions (n=1 - 3) at 298 K, J. Am. Chem. Soc., 1979, 101, 14, 3724, https://doi.org/10.1021/ja00508a003 . [all data]

Klassen, Blades, et al., 1995
Klassen, J.S.; Blades, A.T.; Kebarle, P., Determinations of Ion-Molecule Equilibria Involving Ions Produced by Electrospray. Hydration of Protonated Amines, Diamines, and Some Small Peptides, J. Phys. Chem., 1995, 99, 42, 15509, https://doi.org/10.1021/j100042a027 . [all data]

Lee, Keesee, et al., 1980
Lee, N.; Keesee, R.G.; Castleman, A.W., Jr., The properties of clusters in the gas phase. IV. Complexes of H₂O and HNO_x clustering on NO_x-, J. Chem. Phys., 1980, 72, 1089. [all data]

Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P., Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I, J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019 . [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO₂-, NO₃-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

Arnold and Qiu, 1984
Arnold, F.; Qiu, S., Upper Stratosphere Negative Ion Composition Measurements and Infrared Trace Gas Abundances, Planet. Space Sci., 1984, 32, 2, 169, https://doi.org/10.1016/0032-0633(84)90151-X . [all data]

Bohringer, Fahey, et al., 1984
Bohringer, H.; Fahey, D.W.; Fehsenfeld, F.C.; Ferguson, E.E., Bond energies of the molecules H₂O, SO₂, H₂O₂, and HCl to various atmospheric negative ions, J. Chem. Phys., 1984, 81, 2805. [all data]

Banic and Iribarne, 1985
Banic, C.M.; Iribarne, J.V., Equilibrium Constants for Clustering of Neutral Molecules about Gaseous Ions, J. Chem. Phys., 1985, 83, 12, 6432, https://doi.org/10.1063/1.449543 . [all data]

Fehsenfeld and Ferguson, 1974
Fehsenfeld, F.C.; Ferguson, E.E., Laboratory studies of negative ion reactions with atmospheric trace constituents, J. Chem. Phys., 1974, 61, 3181. [all data]

Payzant, Cunningham, et al., 1972
Payzant, J.D.; Cunningham, A.J.; Kebarle, P., Kinetics and Rate Constants of Reactions Leading to Hydration of NO2- and NO3- in Gaseous Oxygen, Argon, and Helium Containing Traces of Water, Can. J. Chem., 1972, 50, 14, 2230, https://doi.org/10.1139/v72-358 . [all data]

Sieck, 1985
Sieck, L.W., Thermochemistry of Solvation of NO₂^- and C₆H₅NO₂^- by Polar Molecules in the Vapor Phase. Comparison with Cl^- and Variation with Ligand Structure., J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049 . [all data]

Paulson and Dale, 1982
Paulson, J.F.; Dale, J., Reactions of OH^-.H₂O with NO₂, J. Chem. Phys., 1982, 77, 4006. [all data]

Blades, Klassen, et al., 1996
Blades, A.T.; Klassen, J.S.; Kebarle, P., Determination of Ion-Solvent Equilibria in the Gas Phase. Hydration of Diprotonated Diamines and Bis(trimethylammonium) Alkanes, J. Am. Chem. Soc., 1996, 118, 49, 12437, https://doi.org/10.1021/ja962641t . [all data]

Dalleska, Tjelta, et al., 1994
Dalleska, N.F.; Tjelta, B.L.; Armentrout, P.B., Sequential Bond Energies of Water to Na+ (3s0), Mg+ (3s1), and Al+ (3s2), J. Phys. Chem., 1994, 98, 15, 4191, https://doi.org/10.1021/j100066a045 . [all data]

Blades, Jayaweera, et al., 1990
Blades, A.T.; Jayaweera, P.; Ikonomou, M.G.; Kebarle, P., Studies of Alkaline - Earth and Transition - Metal M++ Gas - Phase Ion Chemistry, J. Chem. Phys., 1990, 92, 10, 5900, https://doi.org/10.1063/1.458360 . [all data]

Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S., Solvation of Halide Ions with H₂O and CH₃CN in the Gas Phase, J. Phys. Chem., 1988, 92, 13, 3943, https://doi.org/10.1021/j100324a051 . [all data]

Keesee and Castleman, 1980
Keesee, R.G.; Castleman, A.W., Jr., Gas phase studies of hydration complexes of Cl- and I- and comparison to electrostatic calculations in the gas phase, Chem. Phys. Lett., 1980, 74, 139. [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Markovich, Pollack, et al., 1994
Markovich, G.; Pollack, S.; Giniger, R.; Cheshnovsky, O., Photoelectron spectroscopy of Cl-, Br-, and I- solvated in water clusters, J. Chem. Phys., 1994, 101, 11, 9344, https://doi.org/10.1063/1.467965 . [all data]

Hiraoka and Mizuse, 1987
Hiraoka, K.; Mizuse, S., Gas-Phase Solvation of Cl- with H2O, CH3OH, C2H4OH, i-C3H7OH, n-C3H7OH, and t-C4H9OH, Chem. Phys., 1987, 118, 3, 457, https://doi.org/10.1016/0301-0104(87)85078-4 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Tang, Lian, et al., 1976
Tang, I.N.; Lian, M.S.; Castleman, A.W., Mass Spectrometric Study of Gas - Phase Clustering Reactions: Hydration of the Monovalent Strontium Ion, J. Chem. Phys., 1976, 65, 10, 4022, https://doi.org/10.1063/1.432854 . [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

Kebarle, Arshadi, et al., 1968
Kebarle, P.; Arshadi, M.; Scarborough, J., Hydration of Negative Ions in the Gas Phase, J. Chem. Phys., 1968, 49, 2, 817, https://doi.org/10.1063/1.1670145 . [all data]

Meot-Ner (Mautner) and Speller, 1986
Meot-Ner (Mautner), M.; Speller, C.V., The Filling of Solvent Shells in Cluster Ions: Thermochemical Criteria nd the Effects of Isomeric Clusters, J. Phys. Chem., 1986, 90, 25, 6616, https://doi.org/10.1021/j100283a006 . [all data]

Payzant, Cunningham, et al., 1973
Payzant, J.D.; Cunningham, A.J.; Kebarle, P., Gas - Phase Solvation of Ammonium Ion by NH3 and H2O and Stabilities of Mixed Clusters NH4+(NH3)n(H2O)w, Can. J. Chem., 1973, 51, 19, 3242, https://doi.org/10.1139/v73-485 . [all data]

Bryndza, Fong, et al., 1987
Bryndza, H.E.; Fong, L.K.; Paciello, R.A.; Tam, W.; Bercaw, J.E., J. Am. Chem. Soc., 1987, 109, 1444. [all data]

Wincel, 2008
Wincel, H., Hydration energies of deprotonated amino acids from gas phase equilibria measurements, J. Am. Soc. Mass Spectrom., 2008, 19, 8, 1091-1097, https://doi.org/10.1016/j.jasms.2008.05.014 . [all data]

Meot-ner, Elmore, et al., 1999
Meot-ner, M.; Elmore, D.E.; Scheiner, S., Ionic Hydrogen Bond Effects on the Acidities, Basicities, Solvation, Solvent Bridging and Self-assembly of Carboxylic Groups, J. Am. Chem. Soc., 1999, 121, 33, 7625, https://doi.org/10.1021/ja982173i . [all data]

Meot-Ner and Sieck, 1986
Meot-Ner, M.; Sieck, L.W., The ionic hydrogen bond and ion solvation. 5. OH...O^- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions, J. Am. Chem. Soc., 1986, 108, 7525. [all data]

Meot-ner, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. ₆. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH₃COO^- with Cl^-, CN^-, and SH^-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

Blanchard, Joly, et al., 1974
Blanchard, J.M.; Joly, R.D.; Lettoffe, J.M.; Perachon, G.; Thourey, J., J. Chim. Phys. Phys.-Chim. Biol., 1974, 71, 472. [all data]

Tel'noi and Rabinovich, 1980
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1980, 49, 603. [all data]

Wagman, Evans W.H., et al., 1982
Wagman, D.D.; Evans W.H.; Parker, V.B.; Schumm, R.H.; Halow, I.; Bailey, S.M.; Churney, K.L.; Nuttall, R.L., The NBS Tables of Chemical Thermodynamic Properties; J. Phys. Chem. Ref. Data, 1982, 11, Suppl. 2. [all data]

Liebman, Martinho Simões, et al., 1995
Liebman, J.F.; Martinho Simões, J.A.; Slayden, S.W., In Lithium Chemistry: A Theoretical and Experimental Overview Wiley: New York, Sapse, A.-M.; Schleyer, P. von Ragué, ed(s)., 1995. [all data]

Davidson and Kebarle, 1976
Davidson, W.R.; Kebarle, P., Ionic Solvation by Aprotic Solvents. Gas Phase Solvation of the Alkali Ions by Acetonitrile, J. Am. Chem. Soc., 1976, 98, 20, 6125, https://doi.org/10.1021/ja00436a010 . [all data]

Burdett and Hayhurst, 1982
Burdett, N.A.; Hayhurst, A.N., Hydration of gas phase ions and the measurement of boundary layer cooling during flame sampling into a mass spectrometer., J. Chem. Soc. Faraday Trans. 1, 1982, 78, 2997. [all data]

Searles and Kebarle, 1969
Searles, S.K.; Kebarle, P., 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, Can. J. Chem., 1969, 47, 14, 2619, https://doi.org/10.1139/v69-432 . [all data]

Chupka, 1959
Chupka, W.A., Dissociation Energies of Some Gaseous Halide Complex Ions and the Hydrated Ion K(H2O)+, J. Chem. Phys., 1959, 40, 2, 458, https://doi.org/10.1063/1.1729974 . [all data]

Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B., Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements., J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004 . [all data]

Meot-ner, 1988, 2
Meot-ner, M., The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules, J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022 . [all data]

Meot-Ner (Mautner) and Speller, 1989
Meot-Ner (Mautner), M.; Speller, C.V., Multicomponent Cluster Ions.3. Comparative Stabilities of Cationic and Anionic Hydrogen Bonded Networks. Mixed Clusters of Water and Hydrogen Cyanide, J. Phys. Chem., 1989, 93, 6580. [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]

Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P., Thermodynamics of the Association Reactions OH- - H2O = HOHOH- and CH3O- - CH3OH = CH3OHOCH3- in the Gas Phase, J. Phys. Chem., 1990, 94, 12, 5184, https://doi.org/10.1021/j100375a076 . [all data]

Arshadi and Kebarle, 1970
Arshadi, M.; Kebarle, P., Hydration of OH^- and O₂^- in the Gas Phase. Comparative Solvation of OH^- by Water and the Hydrogen Halides. Effect of Acidity, J. Phys. Chem., 1970, 74, 7, 1483, https://doi.org/10.1021/j100702a015 . [all data]

Keesee and Castleman Jr., 1989
Keesee, R.G.; Castleman Jr., Hydration of Monomeric Metaphosphate Anion in the Gas Phase, J. Am. Chem. Soc., 1989, 111, 25, 9015, https://doi.org/10.1021/ja00207a004 . [all data]

Blades, Ho, et al., 1996
Blades, A.T.; Ho, Y.; Kebarle, P., Hydration in the Gas Phase of the Orthophosphate Anion (HO)2PO2-, and the Conversion of the Orthophosphate anion to the Metaphosphate, PO3-, Ion, J. Am. Chem. Soc., 1996, 118, 1, 196, https://doi.org/10.1021/ja952169w . [all data]

Blades, Ho, et al., 1996, 2
Blades, A.T.; Ho, Y.; Kebarle, P., Hydration in the Gas Phase of the Orthophosphate Anion, (HO)2PO2-, and the Conversion of the Orthophosphate to teh Metaphosphate, PO3-, Ion, J. Am. Chem. Soc., 1996, 118, 1, 196, https://doi.org/10.1021/ja952169w . [all data]

Amicangelo and Armentrout, 2001
Amicangelo, J.C.; Armentrout, P.B., Relative and Absolute Bond Dissociation Energies of Sodium Cation Complexes Determined Using Competitive Collision-Induced Dissociation Experiments, Int. J. Mass Spectrom., 2001, 212, 1-3, 301, https://doi.org/10.1016/S1387-3806(01)00494-8 . [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

Nicol, Sunner, et al., 1988
Nicol, G.; Sunner, J.; Kebarle, P., Kinetics and Thermodynamics of Protonation Reactions: H3O+(H2O)h + B = BH+(H2O)b + (h - b +1)H2O, where B is a Nitrogen, Oxygen or Carbon Base, Int. J. Mass Spectrom. Ion Proc., 1988, 84, 1-2, 135, https://doi.org/10.1016/0168-1176(88)83032-5 . [all data]

Hiraoka, Takimoto, et al., 1987
Hiraoka, K.; Takimoto, H.; Yamabe, S., Stabilities and Structures in Cluster Ions of Five-Membered Heterocyclic Compounds Containing O, N and S Atoms, J. Am. Chem. Soc., 1987, 109, 24, 7346, https://doi.org/10.1021/ja00258a018 . [all data]

Meot-Ner (Mautner), Ross, et al., 1985
Meot-Ner (Mautner), M.; Ross, M.M.; Campana, J.E., Stable Hydrogen - Bonded Isomers of Covalent Ions, J. Am. Chem. Soc., 1985, 107, 4835. [all data]

Cunningham, Payzant, et al., 1972
Cunningham, A.J.; Payzant, J.D.; Kebarle, P., A Kinetic Study of the Proton Hydrate H+(H2O)n Equilibria in the Gas Phase, J. Am. Chem. Soc., 1972, 94, 22, 7627, https://doi.org/10.1021/ja00777a003 . [all data]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]

Hierl and Paulson, 1984
Hierl, P.M.; Paulson, J.F., Translational energy dependence of cross sections for reactions of OH^- (H₂O)n with CO₂ and SO₂, J. Chem. Phys., 1984, 80, 4890. [all data]

DePaz, Giardini, et al., 1970
DePaz, M.; Giardini, A.G.; Friedman, L., Tandem-Mass-Spectrometer Study of Solvated Derivatives of OD-. Total Hydration Energy of the Proton, J. Chem. Phys., 1970, 52, 2, 687, https://doi.org/10.1063/1.1673041 . [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References

Symbols used in this document:

P_c	Critical pressure
P_triple	Triple point pressure
S°_liquid	Entropy of liquid at standard conditions
S°_{liquid,1 bar}	Entropy of liquid at standard conditions (1 bar)
T	Temperature
T_boil	Boiling point
T_c	Critical temperature
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
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
ρ_c	Critical density

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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