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 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 1201 to 1250
By formula: C5H10O2 + H2O = CH4O + C4H8O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -14.72 ± 0.24 | kcal/mol | Eqk | Guthrie and Cullimore, 1980 | liquid phase; ALS |
By formula: CH4O + C3H6O = C4H8O + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.75 ± 0.11 | kcal/mol | Eqk | Hine and Arata, 1976 | liquid phase; ALS |
C5H14OSn (l) + (l) = C3H10OSn (cr) + (
• 55
) (solution)
By formula: C5H14OSn (l) + H2O (l) = C3H10OSn (cr) + (C2H6O • 55H2O) (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -18.3 ± 0.41 | kcal/mol | RSC | Baldwin, Lappert, et al., 1972 | MS |
+
+
= C4H10NO6-
By formula: NO3- + H2O + C4H8O2 = C4H10NO6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.80 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: C4H8O + 2CH4O = C6H14O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -14.1 ± 0.3 | kcal/mol | Cm | Wiberg, Morgan, et al., 1994 | gas phase; ALS |
By formula: H2CaO2 + 2C2HCl5 = CaCl2 + 2C2Cl4 + 2H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -43.40 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; ALS |
+
+
= C3H8NO6-
By formula: NO3- + H2O + C3H6O2 = C3H8NO6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.90 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: CO3 + H2O + C4H8O2 = C5H10O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.60 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: C5H8O + 2CH4O = H2O + C7H14O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -10.4 ± 0.3 | kcal/mol | Cm | Wiberg, Morgan, et al., 1994 | gas phase; ALS |
By formula: C6H10O + 2CH4O = H2O + C8H16O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -12.9 ± 0.3 | kcal/mol | Cm | Wiberg, Morgan, et al., 1994 | gas phase; ALS |
By formula: C3H7NO5 + 2HNO3 = C3H5N3O9 + 2H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -4.2 ± 0.3 | kcal/mol | Cm | Kazakov, Lagodzinskaya, et al., 1989 | liquid phase; ALS |
By formula: CO3 + H2O + C3H6O2 = C4H8O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.00 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: 2CH4O + C2H4O = C4H10O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -14.8 ± 0.3 | kcal/mol | Cm | Wiberg, Morgan, et al., 1994 | gas phase; ALS |
By formula: C3H8O3 + 3HNO3 = C3H5N3O9 + 3H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -8.7 ± 0.4 | kcal/mol | Cm | Kazakov, Lagodzinskaya, et al., 1989 | liquid phase; ALS |
By formula: 2CH4O + C3H6O = H2O + C5H12O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -11.1 ± 0.3 | kcal/mol | Cm | Wiberg, Morgan, et al., 1994 | gas phase; ALS |
+
= C13H24O2 +
By formula: C10H20O2 + C3H6O = C13H24O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.1 | kcal/mol | Eqk | Anteunis and Rommelaere, 1970 | liquid phase; ALS |
C6H11NO3 + =
+
By formula: C6H11NO3 + H2O = C4H9NO2 + C2H4O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.53 ± 0.06 | kcal/mol | Cm | Wadso, 1962 | liquid phase; ALS |
+
= C12H26O3S +
By formula: C12H25ClO2S + H2O = C12H26O3S + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.3 ± 2.0 | kcal/mol | Cm | Roth and Rist-Schumacher, 1944 | solid phase; ALS |
By formula: H2CaO2 + 2C2H2Cl4 = CaCl2 + 2H2O + 2C2HCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -36. | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; ALS |
By formula: CH2NO5- + H2O + CH2O2 = CH4NO6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.40 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: C3H4O5- + H2O + C2H4O2 = C3H6O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.60 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: C2H4NO5- + H2O + C2H4O2 = C2H6NO6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.60 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: C6H11NO2S + H2O = C4H9NOS + C2H4O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.75 ± 0.07 | kcal/mol | Cm | Wadso, 1962 | liquid phase; ALS |
+
= C12H26O3S +
By formula: C12H26 + H2O4S = C12H26O3S + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.3 ± 4.0 | kcal/mol | Cm | Roth and Rist-Schumacher, 1944 | liquid phase; ALS |
By formula: C6H13NO + H2O = C4H11N + C2H4O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.20 ± 0.05 | kcal/mol | Cm | Wadso, 1962, 2 | liquid phase; ALS |
By formula: Sc+ + H2O = (Sc+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
By formula: Zn+ + H2O = (Zn+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
By formula: C4F6O3 + H2O = 2C2HF3O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -18.01 ± 0.01 | kcal/mol | Cm | Wiberg and Wasserman, 1981 | liquid phase; ALS |
By formula: C4H10O3 + HNO3 = C4H9NO5 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.70 | kcal/mol | Cm | Tsvetkov, Sopin, et al., 1986 | liquid phase; ALS |
By formula: C4H10O2 + C3H6O = C7H14O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -4.0 | kcal/mol | Eqk | Anteunis and Rommelaere, 1970 | liquid phase; ALS |
By formula: 2C2H4O2 = C4H6O3 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.22 ± 0.28 | kcal/mol | Eqk | Knopp, Linnell, et al., 1962 | liquid phase; ALS |
By formula: C12H23ClO + H2O = C12H24O2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -17.0 ± 0.8 | kcal/mol | Cm | Roth and Rist-Schumacher, 1944 | solid phase; ALS |
By formula: 2C2H7N + CH2O = C5H14N2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -45.6 ± 0.6 | kcal/mol | Cm | Rogers and Rapiejko, 1974 | gas phase; ALS |
C5H15Ta (l) + 2.5 (l) = 0.5O5Ta2 (cr) + 5
(g)
By formula: C5H15Ta (l) + 2.5H2O (l) = 0.5O5Ta2 (cr) + 5CH4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -204. ± 6.2 | kcal/mol | RSC | Adedeji, Connor J.A., et al., 1976 | MS |
CAS Reg. No. 13479-16-8 + 3 = C9H20O7-2
By formula: CAS Reg. No. 13479-16-8 + 3H2O = C9H20O7-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 14124-68-6 + 6 = H12O10Se-2
By formula: CAS Reg. No. 14124-68-6 + 6H2O = H12O10Se-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 14383-50-7 + 5 = H10O8S2-2
By formula: CAS Reg. No. 14383-50-7 + 5H2O = H10O8S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 14781-81-8 + 3 = H6O9S2-2
By formula: CAS Reg. No. 14781-81-8 + 3H2O = H6O9S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 9.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
+ 6
= H12O10S-2
By formula: O4S-2 + 6H2O = H12O10S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 15092-81-6 + 2 = H4O10S2-2
By formula: CAS Reg. No. 15092-81-6 + 2H2O = H4O10S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 45130-36-7 + 3 = C10H22O7-2
By formula: CAS Reg. No. 45130-36-7 + 3H2O = C10H22O7-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 56383-76-7 + 2 = C2H8O8S2-2
By formula: CAS Reg. No. 56383-76-7 + 2H2O = C2H8O8S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C4H10O2 + C3H6O = C7H14O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.7 | kcal/mol | Eqk | Anteunis and Rommelaere, 1970 | liquid phase; ALS |
By formula: C9H18O3 = C9H16O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.55 ± 0.28 | kcal/mol | Cm | Wiberg and Waldron, 1991 | solid phase; ALS |
By formula: C11H22O3 = C11H20O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.13 ± 0.15 | kcal/mol | Cm | Wiberg and Waldron, 1991 | solid phase; ALS |
By formula: C13H26O3 = C13H24O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.25 ± 0.09 | kcal/mol | Cm | Wiberg and Waldron, 1991 | solid phase; ALS |
By formula: H2O2- + 2H2O = H4O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.4 ± 1.8 | kcal/mol | LPES | Clements, Luong, et al., 2001 | gas phase; B |
CAS Reg. No. 13479-42-0 + = C4H7O5-
By formula: CAS Reg. No. 13479-42-0 + H2O = C4H7O5-
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. 15536-54-6 + = H2O7S4-2
By formula: CAS Reg. No. 15536-54-6 + H2O = H2O7S4-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 9.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
CAS Reg. No. 17234-12-7 + = C8H7O5-
By formula: CAS Reg. No. 17234-12-7 + H2O = C8H7O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.70 ± 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.
Guthrie and Cullimore, 1980
Guthrie, J.P.; Cullimore, P.A.,
Effect of the acyl substituent on the equilibrium constant for hydration of esters,
Can. J. Chem., 1980, 58, 1281-1294. [all data]
Hine and Arata, 1976
Hine, J.; Arata, K.,
Keto-Enol tautomerism. II. The calorimetrical determination of the equilibrium constants for keto-enol tautomerism for cyclohexanone,
Bull. Chem. Soc. Jpn., 1976, 49, 3089-3092. [all data]
Baldwin, Lappert, et al., 1972
Baldwin, J.C.; Lappert, M.F.; Pedley, J.B.; Poland, J.S.,
J. Chem. Soc., Dalton Trans., 1972, 1943.. [all data]
Viidanoja, Reiner, et al., 2000
Viidanoja, J.; Reiner, T.; Kiendler, A.; Grimm, F.; Arnold, F.,
Laboratory investigations of negative ion molecule reactions of propionic, butyric, glyoxylic, pyruvic, and pinonic acids,
Int. J. Mass Spectrom., 2000, 194, 1, 53-68, https://doi.org/10.1016/S1387-3806(99)00172-4
. [all data]
Wiberg, Morgan, et al., 1994
Wiberg, K.B.; Morgan, K.M.; Maltz, H.,
Thermochemistry of carbonyl reactions. 6. A study of hydration equilibria,
J. Am. Chem. Soc., 1994, 116, 11067-11077. [all data]
Kirkbride, 1956
Kirkbride, F.W.,
The heats of chlorination of some hydrocarbons and their chloro-derivatives,
J. Appl. Chem., 1956, 6, 11-21. [all data]
Kazakov, Lagodzinskaya, et al., 1989
Kazakov, A.I.; Lagodzinskaya, E.P.; Kirpichev, E.P.; Andrienko, L.P.; Yunda, N.G.; Korolev, A.M.; Robtsov, Yu.I.; Manelis, G.V.; Eremenko, L.T.,
Thermodynamics of nitration of glycerol,
Dokl. Phys. Chem. (Engl. Transl.), 1989, 305, 287-291. [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]
Wadso, 1962
Wadso, I.,
Heats of hydrolysis of acetates and thiolacetates in aqueous solution,
Acta Chem. Scand., 1962, 16, 487-494. [all data]
Roth and Rist-Schumacher, 1944
Roth, W.A.; Rist-Schumacher, E.,
Beitrag zur thermochemie der sulfonsauren und saurechlorid,
Z. Electrochem., 1944, 50, 7-9. [all data]
Wadso, 1962, 2
Wadso, I.,
Heats of aminolysis and hydrolysis of some N-acetyl compounds and of acetic anhydride,
Acta Chem. Scand., 1962, 16, 471-478. [all data]
Magnera, David, et al., 1989
Magnera, T.F.; David, D.E.; Michl, J.,
Gas -Phase Water and Hydroxyl Binding Energies for Monopoisitive First - Row Transition - Metal Ions,
J. Am. Chem. Soc., 1989, 111, 11, 4101, https://doi.org/10.1021/ja00193a051
. [all data]
Wiberg and Wasserman, 1981
Wiberg, K.B.; Wasserman, D.J.,
Enthalpies of hydration of alkenes. 1. The n-hexenes,
J. Am. Chem. Soc., 1981, 103, 6563-6566. [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]
Knopp, Linnell, et al., 1962
Knopp, J.A.; Linnell, W.S.; Child, W.C., Jr.,
The thermodynamics of the thermal decomposition of acetic acid in the liquid phase,
J. Phys. Chem., 1962, 66, 1513-1516. [all data]
Rogers and Rapiejko, 1974
Rogers, F.E.; Rapiejko, R.J.,
Thermochemistry of carbonyl addition reactions. II. Enthalpy of addition of dimethylamine to formaldehyde,
J. Phys. Chem., 1974, 78, 599-603. [all data]
Adedeji, Connor J.A., et al., 1976
Adedeji, F.A.; Connor J.A.; Skinner, H.A.; Galyer, L.; Wilkinson, G.,
J. Chem. Soc., Chem. Commun., 1976, 159.. [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]
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]
Clements, Luong, et al., 2001
Clements, T.G.; Luong, A.K.; Deyerl, H.J.; Continetti, R.E.,
Dissociative photodetachment studies of O-(H2O)(2), OH- (H2O)(2), and the deuterated isotopomers: Energetics and three- body dissociation dynamics,
J. Chem. Phys., 2001, 114, 19, 8436-8444, https://doi.org/10.1063/1.1366332
. [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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