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 801 to 850, reactions 851 to 900, reactions 901 to 950, reactions 951 to 1000, reactions 1001 to 1050, reactions 1051 to 1100, reactions 1101 to 1150, reactions 1151 to 1200, reactions 1201 to 1250, reactions 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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 1251 to 1300
CAS Reg. No. 18610-42-9 + = C4H5O5-
By formula: CAS Reg. No. 18610-42-9 + H2O = C4H5O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C5H7O4-2 + H2O = C5H9O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C6H9O4-2 + H2O = C6H11O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 22713-47-9 + = C10H8O7S2-2
By formula: CAS Reg. No. 22713-47-9 + H2O = C10H8O7S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C7H11O4-2 + H2O = C7H13O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C8H13O4-2 + H2O = C8H15O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 3198-30-9 + 3 = C8H10O7-2
By formula: CAS Reg. No. 3198-30-9 + 3H2O = C8H10O7-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 48063-93-0 + = C9H17O5-
By formula: CAS Reg. No. 48063-93-0 + H2O = C9H17O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 48065-91-4 + = C10H19O5-
By formula: CAS Reg. No. 48065-91-4 + H2O = C10H19O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 93278-49-0 + = C5H9O5-
By formula: CAS Reg. No. 93278-49-0 + H2O = C5H9O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
+ = C5H11NO6 +
By formula: C5H12O4 + HNO3 = C5H11NO6 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.70 | kcal/mol | Cm | Tsvetkov, Sopin, et al., 1986 | liquid phase; ALS |
By formula: C2H6O2 + C3H6O = C5H10O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.4 | kcal/mol | Eqk | Anteunis and Rommelaere, 1970 | liquid phase; ALS |
By formula: C2H6O2 + HNO3 = C2H5NO4 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.9 | kcal/mol | Cm | Tsvetkov, Sopin, et al., 1986 | liquid phase; ALS |
By formula: C4H10O3 + HNO3 = C4H9NO5 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.1 | kcal/mol | Cm | Tsvetkov, Sopin, et al., 1986 | liquid phase; ALS |
By formula: C8H16O3 = C8H14O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.37 ± 0.13 | kcal/mol | Cm | Wiberg and Waldron, 1991 | solid phase; ALS |
By formula: C10H20O3 = C10H18O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.89 ± 0.16 | kcal/mol | Cm | Wiberg and Waldron, 1991 | solid phase; ALS |
By formula: C6H12O3 = C6H10O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.71 ± 0.07 | kcal/mol | Cm | Wiberg and Waldron, 1991 | solid phase; ALS |
By formula: C7H14O3 = C7H12O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.22 ± 0.04 | kcal/mol | Cm | Wiberg and Waldron, 1991 | solid phase; ALS |
By formula: C7H12O3 + H2O = C5H10O2 + C2H4O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.9 | kcal/mol | Eqk | Grigor'ev, Katsman, et al., 1981 | liquid phase; ALS |
CAS Reg. No. 1000-88-0 + = C3H5O5-
By formula: CAS Reg. No. 1000-88-0 + H2O = C3H5O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 15251-42-0 + 3 = H8O10P2-2
By formula: CAS Reg. No. 15251-42-0 + 3H2O = H8O10P2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.90 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996 | gas phase; B |
CAS Reg. No. 15251-42-0 + 4 = H10O11P2-2
By formula: CAS Reg. No. 15251-42-0 + 4H2O = H10O11P2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.90 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996 | gas phase; B |
CAS Reg. No. 15251-42-0 + 5 = H12O12P2-2
By formula: CAS Reg. No. 15251-42-0 + 5H2O = H12O12P2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.70 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996 | gas phase; B |
CAS Reg. No. 207592-41-4 + = C5H10O9P-
By formula: CAS Reg. No. 207592-41-4 + H2O = C5H10O9P-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.80 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996 | gas phase; B |
CAS Reg. No. 73679-94-4 + 2 = C10H17N5O12P2-2
By formula: CAS Reg. No. 73679-94-4 + 2H2O = C10H17N5O12P2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.90 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996 | gas phase; B |
CAS Reg. No. 73679-94-4 + 3 = C10H19N5O13P2-2
By formula: CAS Reg. No. 73679-94-4 + 3H2O = C10H19N5O13P2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.80 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996 | gas phase; B |
CAS Reg. No. 73679-94-4 + 5 = C10H23N5O15P2-2
By formula: CAS Reg. No. 73679-94-4 + 5H2O = C10H23N5O15P2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.60 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996 | gas phase; B |
CAS Reg. No. 73679-94-4 + 6 = C10H25N5O16P2-2
By formula: CAS Reg. No. 73679-94-4 + 6H2O = C10H25N5O16P2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.10 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996 | gas phase; B |
CAS Reg. No. 73679-94-4 + 7 = C10H27N5O17P2-2
By formula: CAS Reg. No. 73679-94-4 + 7H2O = C10H27N5O17P2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.60 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996 | gas phase; B |
By formula: C4H8O3 = H2O + C4H6O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.08 ± 0.05 | kcal/mol | Cm | Wiberg and Waldron, 1991 | liquid phase; ALS |
By formula: C5H12O2 + C3H6O = C8H16O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.7 | kcal/mol | Eqk | Anteunis and Rommelaere, 1970 | liquid phase; ALS |
By formula: C3H8O2 + C3H6O = C6H12O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.8 | kcal/mol | Eqk | Anteunis and Rommelaere, 1970 | liquid phase; ALS |
By formula: C3H6O + C3H7ClO2 = C6H11ClO2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.9 | kcal/mol | Eqk | Anteunis and Rommelaere, 1970 | liquid phase; ALS |
By formula: C3H8O2 + C3H6O = C6H12O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -5.5 | kcal/mol | Eqk | Anteunis and Rommelaere, 1970 | liquid phase; ALS |
H18O12S2-2 + 10 = H20O13S2-2
By formula: H18O12S2-2 + 10H2O = H20O13S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 47287-36-5 + = C10H16N5O8P-
By formula: CAS Reg. No. 47287-36-5 + H2O = C10H16N5O8P-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.40 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996 | gas phase; B |
CAS Reg. No. 73679-94-4 + = C10H15N5O11P2-2
By formula: CAS Reg. No. 73679-94-4 + H2O = C10H15N5O11P2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 9.30 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996 | gas phase; B |
CAS Reg. No. 920-52-5 + = C2H3O5-
By formula: CAS Reg. No. 920-52-5 + H2O = C2H3O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C12H24O3 = H2O + C12H22O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.2 ± 0.9 | kcal/mol | Cm | Wiberg and Waldron, 1991 | solid phase; ALS |
CH3LiO (cr) + (l) = HLiO (cr) + (l)
By formula: CH3LiO (cr) + H2O (l) = HLiO (cr) + CH4O (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.2 ± 0.55 | kcal/mol | RSC | Leal and Martinho Simões, 1993 | MS |
C2H5LiO (cr) + (l) = HLiO (cr) + (l)
By formula: C2H5LiO (cr) + H2O (l) = HLiO (cr) + C2H6O (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.86 ± 0.60 | kcal/mol | RSC | Leal and Martinho Simões, 1993 | MS |
C6H5NaO (cr) + (l) = (cr) + (cr)
By formula: C6H5NaO (cr) + H2O (l) = C6H6O (cr) + HNaO (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.11 ± 0.86 | kcal/mol | RSC | Leal, Pires de Matos, et al., 1991 | MS |
By formula: C3H5O5- + 2H2O = C3H7O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C4H7O5- + 2H2O = C4H9O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C5H9O5- + 2H2O = C5H11O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C5H9O5- + 2H2O = C5H11O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C6H11O5- + 2H2O = C6H13O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C4H5O5- + 2H2O = C4H7O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C9H20O7-2 + 4H2O = C9H22O8-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C9H22O8-2 + 5H2O = C9H24O9-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; 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.
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]
Tsvetkov, Sopin, et al., 1986
Tsvetkov, V.G.; Sopin, V.P.; Tsvetkova, L.Ya.; Marchenko, G.N.,
Enthalpy of reaction of nitric acid with some organic compounds,
J. Gen. Chem. USSR, 1986, 56, 471-474. [all data]
Anteunis and Rommelaere, 1970
Anteunis, M.; Rommelaere, Y.,
NMR experiments on acetals. XXIX. The ease of acetonide formation of some glycols,
Bull. Soc. Chim. Belg., 1970, 79, 523-530. [all data]
Wiberg and Waldron, 1991
Wiberg, K.B.; Waldron, R.F.,
Lactones. 2. Enthalpies of hydrolysis, reduction, and formation of the C4-C13 monocyclic lactones. strain energies and conformations,
J. Am. Chem. Soc., 1991, 113, 7697-7705. [all data]
Grigor'ev, Katsman, et al., 1981
Grigor'ev, A.A.; Katsman, E.A.; Bobrov, A.F.; Dan'ko, T.N.; Pinkhasik, E.V.,
Preparation of γ-acetopropyl alcohol,
Sov. Chem. Ind. (Engl. Transl.), 1981, 967-972. [all data]
Blades, Ho, et al., 1996
Blades, A.T.; Ho, Y.; Kebarle, P.,
Free Energies of Hydration in the Gas Phase of Some Phosphate Singly and Doubly Charged Anions: orthophosphate, diphosphate, Ribose-5-phosphate, Adenosine-5'-phosphate and Adenosine-5'-Dipho,
J. Phys. Chem., 1996, 100, 6, 2443, https://doi.org/10.1021/jp952032s
. [all data]
Leal and Martinho Simões, 1993
Leal, J.P.; Martinho Simões, J.A.,
J. Organometal. Chem., 1993, 460, 131. [all data]
Leal, Pires de Matos, et al., 1991
Leal, J.P.; Pires de Matos, A.; Martinho Simões, J.A.,
J. Organometal. Chem., 1991, 403, 1. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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