Water
- Formula: H2O
- Molecular weight: 18.0153
- IUPAC Standard InChIKey: XLYOFNOQVPJJNP-UHFFFAOYSA-N
- CAS Registry Number: 7732-18-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Water vapor; Distilled water; Ice; H2O; Dihydrogen oxide; steam; Tritiotope
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- Information on this page:
- Other data available:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, reactions 201 to 250, reactions 251 to 300, reactions 301 to 350, reactions 351 to 400, reactions 401 to 450, reactions 451 to 500, reactions 501 to 550, reactions 551 to 600, reactions 601 to 650, reactions 651 to 700, reactions 701 to 750, reactions 751 to 800, reactions 851 to 900, reactions 901 to 950, reactions 951 to 1000, reactions 1001 to 1050, reactions 1051 to 1100, reactions 1101 to 1150, reactions 1151 to 1200, reactions 1201 to 1250, reactions 1251 to 1300, reactions 1301 to 1350, reactions 1351 to 1360
- Gas phase ion energetics data
- Ion clustering data
- IR Spectrum
- Mass spectrum (electron ionization)
- Vibrational and/or electronic energy levels
- Gas Chromatography
- Fluid Properties
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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 801 to 850
+
= C11H13N2O3-
By formula: C11H11N2O2- + H2O = C11H13N2O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.80 ± 0.50 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.90 ± 0.90 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
C6H13N4O2- + = C6H15N4O3-
By formula: C6H13N4O2- + H2O = C6H15N4O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.10 ± 0.50 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.40 ± 0.90 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
By formula: H18N3O9- + 10H2O = H20N3O10-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.00 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change from (H2O))n-1..N3- ion. Vertical Detachment Energy: 5.65±0.08 eV; B |
By formula: C3H5O- + H2O = (C3H5O- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: C3H2F3O- + H2O = (C3H2F3O- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
CAS Reg. No. 23372-53-4 + 2 = C4H11N2O5-
By formula: CAS Reg. No. 23372-53-4 + 2H2O = C4H11N2O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.50 ± 0.30 | kcal/mol | TDEq | Liu, Wyttenbacj, et al., 2004 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.97 | kcal/mol | TDEq | Liu, Wyttenbacj, et al., 2004 | gas phase; B |
CAS Reg. No. 23372-53-4 + 3 = C4H13N2O6-
By formula: CAS Reg. No. 23372-53-4 + 3H2O = C4H13N2O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.20 ± 0.30 | kcal/mol | TDEq | Liu, Wyttenbacj, et al., 2004 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.91 | kcal/mol | TDEq | Liu, Wyttenbacj, et al., 2004 | gas phase; B |
CAS Reg. No. 23372-53-4 + 4 = C4H15N2O7-
By formula: CAS Reg. No. 23372-53-4 + 4H2O = C4H15N2O7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.40 ± 0.10 | kcal/mol | TDEq | Liu, Wyttenbacj, et al., 2004 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.32 | kcal/mol | TDEq | Liu, Wyttenbacj, et al., 2004 | gas phase; B |
CAS Reg. No. 23372-53-4 + = C4H9N2O4-
By formula: CAS Reg. No. 23372-53-4 + H2O = C4H9N2O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.00 ± 0.30 | kcal/mol | TDEq | Liu, Wyttenbacj, et al., 2004 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.68 | kcal/mol | TDEq | Liu, Wyttenbacj, et al., 2004 | gas phase; B |
By formula: (C2H3O2- • H2O) + C6H11NO3 = (C2H3O2- • C6H11NO3 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 38.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
By formula: C2H5F2O+ + H2O = (C2H5F2O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25. | kcal/mol | ICR | Berman and Beauchamp, 1986 | gas phase; bracketing; Lias, Liebman, et al., 1984; M |
By formula: C3H6NO2- + H2O = C3H8NO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.30 ± 0.40 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.80 ± 0.80 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
By formula: C4H11O6- + H2O + 3H2O = C4H13O7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.44 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
By formula: (C3H3N2- • 2H2O) + H2O = (C3H3N2- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
By formula: C4H7N2O3- + H2O = C4H9N2O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.30 ± 0.50 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.4 ± 1.1 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
C6H13N2O2- + = C6H15N2O3-
By formula: C6H13N2O2- + H2O = C6H15N2O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.50 ± 0.60 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.2 ± 1.0 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
By formula: C8H15O8- + 3H2O + H2O = C8H17O9-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.9 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.64 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
By formula: H2N3O- + 2H2O = H4N3O2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10. ± 93. | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 3.78±0.06 eV; B |
By formula: H8N3O4- + 5H2O = H10N3O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.70 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change from (H2O)n-1..N3- ion. Vertical Detachment Energy: 4.85±0.06 eV; B |
By formula: (C5H5- • H2O) + H2O = (C5H5- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.4 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
By formula: (C4H4N- • H2O) + H2O = (C4H4N- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.1 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
By formula: (C6H11NO3 • H2O) + H2O = (C6H11NO3 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
By formula: (C3H3N2- • H2O) + H2O = (C3H3N2- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
+ 218.5
+ 11.25
+
=
+ 13
+ 1.5
By formula: CBrN3O6 + 218.5H2O + 11.25O2 + C12H14O4 = HBr + 13CO2 + 1.5N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1517.74 ± 0.24 | kcal/mol | Ccr | Carpenter, Zimmer, et al., 1970 | liquid phase; The HBr is in 225H2O; ALS |
+
= C6H7O2-
By formula: C6H5O- + H2O = C6H7O2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.4 ± 1.0 | kcal/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.2 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
(C5H6O4-2 • ) +
= (C5H6O4-2 • 2
)
By formula: (C5H6O4-2 • H2O) + H2O = (C5H6O4-2 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.7 ± 4.2 | kcal/mol | N/A | Ding, Wang, et al., 1998 | gas phase; Affinity is EA difference from next lower solvated ion.; B |
By formula: (C3H5O+ • 2H2O) + H2O = (C3H5O+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.4 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
By formula: (C3H5O+ • 3H2O) + H2O = (C3H5O+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
By formula: C3H9Si+ + H2O = (C3H9Si+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.1 ± 1.9 | kcal/mol | PHPMS | Stone and Wojtyniak, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | PHPMS | Stone and Wojtyniak, 1986 | gas phase; M |
By formula: C6H7+ + H2O = (C6H7+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17. | kcal/mol | ICR | Berman and Beauchamp, 1986 | gas phase; switching reaction(H3O+)H2O, ΔrH<; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
By formula: (C3H5O+ • H2O) + H2O = (C3H5O+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
By formula: CH5O2- + 2H2O = CH7O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.2 ± 1.0 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.70 ± 0.50 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
(C10H26N2+2 • 2) +
= (C10H26N2+2 • 3
)
By formula: (C10H26N2+2 • 2H2O) + H2O = (C10H26N2+2 • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.4 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C10H26N2+2 • 3) +
= (C10H26N2+2 • 4
)
By formula: (C10H26N2+2 • 3H2O) + H2O = (C10H26N2+2 • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.7 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C10H26N2+2 • 4) +
= (C10H26N2+2 • 5
)
By formula: (C10H26N2+2 • 4H2O) + H2O = (C10H26N2+2 • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.7 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C10H26N2+2 • 5) +
= (C10H26N2+2 • 6
)
By formula: (C10H26N2+2 • 5H2O) + H2O = (C10H26N2+2 • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.1 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C2H6NO2+ • 2) +
= (C2H6NO2+ • 3
)
By formula: (C2H6NO2+ • 2H2O) + H2O = (C2H6NO2+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.4 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C7H22+2 • 2) +
= (C7H22+2 • 3
)
By formula: (C7H22+2 • 2H2O) + H2O = (C7H22+2 • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.0 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C7H22+2 • 3) +
= (C7H22+2 • 4
)
By formula: (C7H22+2 • 3H2O) + H2O = (C7H22+2 • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.1 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C7H22+2 • 4) +
= (C7H22+2 • 5
)
By formula: (C7H22+2 • 4H2O) + H2O = (C7H22+2 • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.9 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C7H22+2 • 5) +
= (C7H22+2 • 6
)
By formula: (C7H22+2 • 5H2O) + H2O = (C7H22+2 • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.3 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C8H20N+ • 2) +
= (C8H20N+ • 3
)
By formula: (C8H20N+ • 2H2O) + H2O = (C8H20N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C8H22N2+2 • 2) +
= (C8H22N2+2 • 3
)
By formula: (C8H22N2+2 • 2H2O) + H2O = (C8H22N2+2 • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.7 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C8H22N2+2 • 3) +
= (C8H22N2+2 • 4
)
By formula: (C8H22N2+2 • 3H2O) + H2O = (C8H22N2+2 • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.9 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C8H22N2+2 • 4) +
= (C8H22N2+2 • 5
)
By formula: (C8H22N2+2 • 4H2O) + H2O = (C8H22N2+2 • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.8 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C8H22N2+2 • 5) +
= (C8H22N2+2 • 6
)
By formula: (C8H22N2+2 • 5H2O) + H2O = (C8H22N2+2 • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: CH7O3- + 3H2O = CH9O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 ± 1.0 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.50 ± 0.50 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: CH9O4- + 4H2O = CH11O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 ± 1.0 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.10 ± 0.50 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: H4N3O2- + 3H2O = H6N3O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.60 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 4.25±0.06 eV; B |
By formula: H20N3O10- + 11H2O = H22N3O11-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.10 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.70±0.08 eV; B |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Yang, Kiran, et al., 2004
Yang, X.; Kiran, B.; Wang, X.B.; Wang, L.S.; Mucha, M.; Jungwirth, P.,
Solvation of the azide anion (N-3(-)) in water clusters and aqueous interfaces: A combined investigation by photoelectron spectroscopy, density functional calculations, and molecular dynamic,
J. Phys. Chem. A, 2004, 108, 39, 7820-7826, https://doi.org/10.1021/jp0496396
. [all data]
Meot-ner, 1988
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]
Liu, Wyttenbacj, et al., 2004
Liu, D.; Wyttenbacj, T.; Carpenter, C.J.; Bowers, M.T.,
Investigation of Non-Covalent Interactions in Deprotonated Peptides: Structural and Energetic Competition between Aggregation and Hydration,
J. Am. Chem. Soc., 2004, 126, 10, 3261, https://doi.org/10.1021/ja0393628
. [all data]
Meot-Ner (Mautner), 1988
Meot-Ner (Mautner), M.,
Models for Strong Interactions in Proteins and Enzymes. 2. Interactions of Ions with the Peptide Link and Imidazole,
J. Am. Chem. Soc., 1988, 110, 10, 3075, https://doi.org/10.1021/ja00218a014
. [all data]
Berman and Beauchamp, 1986
Berman, D.W.; Beauchamp, J.L.,
Quoted in Keesee and Castleman, 1986, 1986. [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]
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]
Carpenter, Zimmer, et al., 1970
Carpenter, G.A.; Zimmer, M.F.; Baroody, E.E.; Robb, R.A.,
Enthalpy of formation of bromotrinitromethane,
J. Chem. Eng. Data, 1970, 15, 553-556. [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]
Ding, Wang, et al., 1998
Ding, C.F.; Wang, X.B.; Wang, L.S.,
Photoelectron spectroscopy of doubly charged anions: Intramolecular Coulomb repulsion and solvent stabilization,
J. Phys. Chem. A, 1998, 102, 45, 8633-8636, https://doi.org/10.1021/jp982698x
. [all data]
Stone and Wojtyniak, 1986
Stone, A.J.; Wojtyniak, A.C.M.,
The Condensation of Trimethylsilylium with Water and the Proton Affinity of Trimethylsilanol,
Can. J. Chem., 1986, 64, 3, 575, https://doi.org/10.1139/v86-092
. [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]
Meot-Ner(Mautner), 1986
Meot-Ner(Mautner), M.,
Comparative Stabilities of Cationic and Anionic Hydrogen-Bonded Networks. Mixed Clusters of Water-Methanol,
J. Am. Chem. Soc., 1986, 108, 20, 6189, https://doi.org/10.1021/ja00280a014
. [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]
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]
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]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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