Water

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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:
RCD - Robert C. Dunbar
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
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 501 to 550

(Lithium ion (1+) • Water) + Water = (Lithium ion (1+) • 2Water)

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

Quantity Value Units Method Reference Comment
Δr27.0 ± 2.4kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr25.8kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr21.1cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M

C5H12NO2+ + Water = (C5H12NO2+ • Water)

By formula: C5H12NO2+ + H2O = (C5H12NO2+ • H2O)

Quantity Value Units Method Reference Comment
Δr19.3kcal/molPHPMSMeot-Ner and Field, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr36.3cal/mol*KPHPMSMeot-Ner and Field, 1974gas phase; Entropy change is questionable; M

(C3H9O+ • 2Water) + Water = (C3H9O+ • 3Water)

By formula: (C3H9O+ • 2H2O) + H2O = (C3H9O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 3Water) + Water = (C3H9O+ • 4Water)

By formula: (C3H9O+ • 3H2O) + H2O = (C3H9O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.0kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 2Water) + Water = (C3H9O+ • 3Water)

By formula: (C3H9O+ • 2H2O) + H2O = (C3H9O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 3Water) + Water = (C3H9O+ • 4Water)

By formula: (C3H9O+ • 3H2O) + H2O = (C3H9O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C4H11O2+ • 2Water) + Water = (C4H11O2+ • 3Water)

By formula: (C4H11O2+ • 2H2O) + H2O = (C4H11O2+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.3kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • 3Water) + Water = (C4H11O2+ • 4Water)

By formula: (C4H11O2+ • 3H2O) + H2O = (C4H11O2+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.8kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr24.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • 4Water) + Water = (C4H11O2+ • 5Water)

By formula: (C4H11O2+ • 4H2O) + H2O = (C4H11O2+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C6H15O+ • 2Water) + Water = (C6H15O+ • 3Water)

By formula: (C6H15O+ • 2H2O) + H2O = (C6H15O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.5kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C6H15O+ • 3Water) + Water = (C6H15O+ • 4Water)

By formula: (C6H15O+ • 3H2O) + H2O = (C6H15O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.5kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr23.7cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C6H15O+ • 4Water) + Water = (C6H15O+ • 5Water)

By formula: (C6H15O+ • 4H2O) + H2O = (C6H15O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr25.3cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(HO- • 7Water) + Water = (HO- • 8Water)

By formula: (HO- • 7H2O) + H2O = (HO- • 8H2O)

Quantity Value Units Method Reference Comment
Δr9.8 ± 1.0kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; Entropy estimated; B
Quantity Value Units Method Reference Comment
Δr2.6 ± 1.4kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; Entropy estimated; B

(CH3O- • 3Water) + Water = (CH3O- • 4Water)

By formula: (CH3O- • 3H2O) + H2O = (CH3O- • 4H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.0kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr20.0cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

C13H22N+ + Water = (C13H22N+ • Water)

By formula: C13H22N+ + H2O = (C13H22N+ • H2O)

Bond type: Hydrogen bonds with steric hindrance in positive ions

Quantity Value Units Method Reference Comment
Δr12.5kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr41.cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M

(C2H7O+ • 4Water) + Water = (C2H7O+ • 5Water)

By formula: (C2H7O+ • 4H2O) + H2O = (C2H7O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.7kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr20.9cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 4Water) + Water = (C3H9O+ • 5Water)

By formula: (C3H9O+ • 4H2O) + H2O = (C3H9O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr20.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 5Water) + Water = (C3H9O+ • 6Water)

By formula: (C3H9O+ • 5H2O) + H2O = (C3H9O+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.8kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • Water) + Water = (C3H9O+ • 2Water)

By formula: (C3H9O+ • H2O) + H2O = (C3H9O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.9kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 4Water) + Water = (C3H9O+ • 5Water)

By formula: (C3H9O+ • 4H2O) + H2O = (C3H9O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.6kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H9O+ • 5Water) + Water = (C3H9O+ • 6Water)

By formula: (C3H9O+ • 5H2O) + H2O = (C3H9O+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.8kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr21.3cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C4H10N+ • Water) + Water = (C4H10N+ • 2Water)

By formula: (C4H10N+ • H2O) + H2O = (C4H10N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr25.9cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(C4H11O2+ • Water) + Water = (C4H11O2+ • 2Water)

By formula: (C4H11O2+ • H2O) + H2O = (C4H11O2+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.7kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr28.6cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H9O+ • Water) + Water = (C4H9O+ • 2Water)

By formula: (C4H9O+ • H2O) + H2O = (C4H9O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.1kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr24.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(C5H11O+ • Water) + Water = (C5H11O+ • 2Water)

By formula: (C5H11O+ • H2O) + H2O = (C5H11O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.1kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr24.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(C5H6N+ • 2Water) + Water = (C5H6N+ • 3Water)

By formula: (C5H6N+ • 2H2O) + H2O = (C5H6N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.3kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr19.6cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

(C6H15O+ • Water) + Water = (C6H15O+ • 2Water)

By formula: (C6H15O+ • H2O) + H2O = (C6H15O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr25.7cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C6H15O3+ • Water) + Water = (C6H15O3+ • 2Water)

By formula: (C6H15O3+ • H2O) + H2O = (C6H15O3+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.1kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr23.2cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C6H5N2+ • 2Water) + Water = (C6H5N2+ • 3Water)

By formula: (C6H5N2+ • 2H2O) + H2O = (C6H5N2+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.9kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

(C6H5N2+ • 3Water) + Water = (C6H5N2+ • 4Water)

By formula: (C6H5N2+ • 3H2O) + H2O = (C6H5N2+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.2kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr19.7cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

(C6H5N2+ • Water) + Water = (C6H5N2+ • 2Water)

By formula: (C6H5N2+ • H2O) + H2O = (C6H5N2+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

(Chlorine anion • Water) + Hydrogen chloride = (Chlorine anion • Hydrogen chloride • Water)

By formula: (Cl- • H2O) + HCl = (Cl- • HCl • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.0kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; M

Trimethyl orthobutyrate + Water = Butanoic acid, methyl ester + 2Methyl Alcohol

By formula: C7H16O3 + H2O = C5H10O2 + 2CH4O

Quantity Value Units Method Reference Comment
Δr-6.272 ± 0.014kcal/molCmWiberg, Martin, et al., 1985liquid phase; solvent: Aqueous dioxane; ALS
Δr-6.315 ± 0.014kcal/molCmWiberg, 1980liquid phase; solvent: Water; Hydrolysis; ALS

Pentane, 1,1,1-trimethoxy- + Water = Methyl valerate + 2Methyl Alcohol

By formula: C8H18O3 + H2O = C6H12O2 + 2CH4O

Quantity Value Units Method Reference Comment
Δr-6.101 ± 0.012kcal/molCmWiberg, Martin, et al., 1985liquid phase; solvent: Aqueous dioxane; ALS
Δr-6.147 ± 0.008kcal/molCmWiberg, 1980liquid phase; solvent: Water; Hydrolysis; ALS

1,1,1-Trimethoxy-3-methylbutane + Water = Methyl isovalerate + 2Methyl Alcohol

By formula: C8H18O3 + H2O = C6H12O2 + 2CH4O

Quantity Value Units Method Reference Comment
Δr-7.295 ± 0.016kcal/molCmWiberg, Martin, et al., 1985liquid phase; solvent: Aqueous dioxane; ALS
Δr-7.367 ± 0.015kcal/molCmWiberg, 1980liquid phase; solvent: Water; Hydrolysis; ALS

(C2H5F3N+ • 2Water) + Water = (C2H5F3N+ • 3Water)

By formula: (C2H5F3N+ • 2H2O) + H2O = (C2H5F3N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.2kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr29.2cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M

(C2H8N+ • 2Water) + Water = (C2H8N+ • 3Water)

By formula: (C2H8N+ • 2H2O) + H2O = (C2H8N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.2kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr30.8cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M

(C5H6N+ • Water) + Water = (C5H6N+ • 2Water)

By formula: (C5H6N+ • H2O) + H2O = (C5H6N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.6kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr19.6cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

(2,5,8,11-Tetraoxadodecane • 2Water) + Water = (2,5,8,11-Tetraoxadodecane • 3Water)

By formula: (C8H18O4 • 2H2O) + H2O = (C8H18O4 • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.3kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C2H5F3N+ • Water) + Water = (C2H5F3N+ • 2Water)

By formula: (C2H5F3N+ • H2O) + H2O = (C2H5F3N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.3kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr29.9cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M

(C2H8N+ • Water) + Water = (C2H8N+ • 2Water)

By formula: (C2H8N+ • H2O) + H2O = (C2H8N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.7kcal/molPHPMSLau and Kebarle, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr29.7cal/mol*KPHPMSLau and Kebarle, 1981gas phase; M

(2,5,8,11-Tetraoxadodecane • 3Water) + Water = (2,5,8,11-Tetraoxadodecane • 4Water)

By formula: (C8H18O4 • 3H2O) + H2O = (C8H18O4 • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.1kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(2,5,8,11-Tetraoxadodecane • Water) + Water = (2,5,8,11-Tetraoxadodecane • 2Water)

By formula: (C8H18O4 • H2O) + H2O = (C8H18O4 • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr31.7cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(MeCO2 anion • CH3CONHCH(CH3)COOCH3) + Water = (MeCO2 anion • Water • CH3CONHCH(CH3)COOCH3)

By formula: (C2H3O2- • C6H11NO3) + H2O = (C2H3O2- • H2O • C6H11NO3)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.2kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr25.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

(C3H5O+ • 2Water) + Water = (C3H5O+ • 3Water)

By formula: (C3H5O+ • 2H2O) + H2O = (C3H5O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.4kcal/molPHPMSHiraoka and Kebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr24.cal/mol*KPHPMSHiraoka and Kebarle, 1977gas phase; M

(C3H5O+ • 3Water) + Water = (C3H5O+ • 4Water)

By formula: (C3H5O+ • 3H2O) + H2O = (C3H5O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.7kcal/molPHPMSHiraoka and Kebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr24.cal/mol*KPHPMSHiraoka and Kebarle, 1977gas phase; M

C6H12NO3+ + Water = (C6H12NO3+ • Water)

By formula: C6H12NO3+ + H2O = (C6H12NO3+ • H2O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr13.0kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(O2S- • 2Water • 3Sulfur dioxide) + Water = (O2S- • 3Water • 3Sulfur dioxide)

By formula: (O2S- • 2H2O • 3O2S) + H2O = (O2S- • 3H2O • 3O2S)

Quantity Value Units Method Reference Comment
Δr6.60 ± 0.30kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr3.00 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • 2Water • 4Sulfur dioxide) + Water = (O2S- • 3Water • 4Sulfur dioxide)

By formula: (O2S- • 2H2O • 4O2S) + H2O = (O2S- • 3H2O • 4O2S)

Quantity Value Units Method Reference Comment
Δr7.10 ± 0.70kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr2.60 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • 5Sulfur dioxide • 2Water) + Sulfur dioxide = (O2S- • 6Sulfur dioxide • 2Water)

By formula: (O2S- • 5O2S • 2H2O) + O2S = (O2S- • 6O2S • 2H2O)

Quantity Value Units Method Reference Comment
Δr3.80 ± 0.90kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr1.10 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas 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.

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]

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]

Meot-Ner and Field, 1974
Meot-Ner, (Mautner); Field, F.H., Solvation and Association of Protonated Gaseous Amino Acids, J. Am. Chem. Soc., 1974, 96, 10, 3168, https://doi.org/10.1021/ja00817a024 . [all data]

Hiraoka, Takimoto, et al., 1986
Hiraoka, K.; Takimoto, H.; Morise, K., Gas-Phase Hydration Reactions of Protonated Alcohols. Energetics and Bulk Hydration of Cluster Ions, J. Am. Chem. Soc., 1986, 108, 19, 5683, https://doi.org/10.1021/ja00279a004 . [all data]

Meot-Ner (Mautner), Sieck, et al., 1994
Meot-Ner (Mautner), M.; Sieck, L.W.; Liebman, J.F.; Scheiner, S.; Duan, X., The Ionic Hydrogen Bond. 5. Polydentate and Solvent-Bridged Structures. Complexing of the Proton and the Hydronium Ions by Polyethers, J. Am. Chem. Soc., 1994, 116, 17, 7848, https://doi.org/10.1021/ja00096a047 . [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]

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]

Meot-Ner M. and Sieck, 1983
Meot-Ner M.; Sieck, L.W., The Ionic Hydrogen Bond. 1. Sterically Hindered Bonds. Solvation and Clustering of Sterically Hindered Amines and Pyridines, J. Am. Chem. Soc., 1983, 105, 10, 2956, https://doi.org/10.1021/ja00348a005 . [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]

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]

Upschulte, Evans, et al., 1986
Upschulte, B.L.; Evans, D.H.; Keesee, R.G.; Castleman, A.W., Unpublished results, referred to in Keesee and Castleman, 1986, 1986. [all data]

Wiberg, Martin, et al., 1985
Wiberg, K.B.; Martin, E.J.; Squires, R.R., Thermochemical studies of carbonyl compounds. 3. Enthalpies of hydrolysis of ortho esters, J. Org. Chem., 1985, 50, 4717-4720. [all data]

Wiberg, 1980
Wiberg, K.B., Energies of organic compounds, Rept. DOE-E(11-1)4060 Prepared for US Dept. of Energy by Yale Univ., New Haven, CT. Avail. NTIS, 1980, 1-24. [all data]

Lau and Kebarle, 1981
Lau, Y.K.; Kebarle, P., Hydrogen Bonding Solvent Effect on the Basicity of Primary Amines CH3NH2, C2H5NH2, AND CF3CH2NH2, Can. J. Chem., 1981, 59, 1, 151, https://doi.org/10.1139/v81-024 . [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]

Hiraoka and Kebarle, 1977
Hiraoka, K.; Kebarle, P., Condensation reactions involving carbonium ions in the gas phase synthesis of protonated acids in gaseous methane containing carbon monoxide and water vapor, J. Am. Chem. Soc., 1977, 99, 366. [all data]

Meot-Ner, 1984
Meot-Ner, (Mautner), The Ionic Hydrogen Bond. 4. Intramolecular and Multiple Bonds. Proton Affinities, Hydration and Complexes of Amides and Amino Acid Derivatives, J. Am. Chem. Soc., 1984, 106, 2, 278, https://doi.org/10.1021/ja00314a003 . [all data]

Vacher, Leduc, et al., 1994
Vacher, J.R.; Leduc, E.; Fitaire, M., Stabilities of Anionic Mixed Clusters of Sulfur Dioxide and Water, Int. J. Mass Spectrom. Ion Proc., 1994, 135, 2-3, 139, https://doi.org/10.1016/0168-1176(94)03985-2 . [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

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