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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
MS - José A. Martinho Simões
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 251 to 300

(Copper ion (1+) • 2Water) + Water = (Copper ion (1+) • 3Water)

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

Quantity Value Units Method Reference Comment
Δr17. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Δr16.4kcal/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Δr23.9cal/mol*KHPMSHolland and Castleman, 1982gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
13.6 (+1.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Copper ion (1+) • 3Water) + Water = (Copper ion (1+) • 4Water)

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

Quantity Value Units Method Reference Comment
Δr15. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Δr16.7kcal/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Δr30.2cal/mol*KHPMSHolland and Castleman, 1982gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
12.9 (+1.0,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

C5H6N+ + Water = (C5H6N+ • Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.1kcal/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Δr15.0kcal/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Δr25.5cal/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

(Potassium ion (1+) • 2Water • Benzene) + Water = (Potassium ion (1+) • 3Water • Benzene)

By formula: (K+ • 2H2O • C6H6) + H2O = (K+ • 3H2O • C6H6)

Quantity Value Units Method Reference Comment
Δr11.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

(Potassium ion (1+) • Water • Benzene) + Water = (Potassium ion (1+) • 2Water • Benzene)

By formula: (K+ • H2O • C6H6) + H2O = (K+ • 2H2O • C6H6)

Quantity Value Units Method Reference Comment
Δr12.7kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr21.4cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

ClCH2CO2 anion + Water = (ClCH2CO2 anion • Water)

By formula: C2H2ClO2- + H2O = (C2H2ClO2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr7.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

MeOCH2CO2 anion + Water = (MeOCH2CO2 anion • Water)

By formula: C3H5O3- + H2O = (C3H5O3- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr8.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

C2HF2O2- + Water = (C2HF2O2- • Water)

By formula: C2HF2O2- + H2O = (C2HF2O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.5 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr7.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(Fluorine anion • 7Water) + Water = (Fluorine anion • 8Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.20 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr31.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; 0.4; M
Quantity Value Units Method Reference Comment
Δr1.8 ± 1.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(CH4NO+ • 2Water) + Water = (CH4NO+ • 3Water)

By formula: (CH4NO+ • 2H2O) + H2O = (CH4NO+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr11.8kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr21.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr21.0cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(C4H10NO+ • Water) + Water = (C4H10NO+ • 2Water)

By formula: (C4H10NO+ • H2O) + H2O = (C4H10NO+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr12.3kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr26.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.4cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(CH4NO+ • Water) + Water = (CH4NO+ • 2Water)

By formula: (CH4NO+ • H2O) + H2O = (CH4NO+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr14.0kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr22.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr22.7cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(HO- • Water) + Water = (HO- • 2Water)

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

Quantity Value Units Method Reference Comment
Δr17.6 ± 1.0kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B
Δr17.9 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr11.2 ± 1.4kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B
Δr11.60kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

MeCH(OH)CO2 anion + Water = (MeCH(OH)CO2 anion • Water)

By formula: C3H5O3- + H2O = (C3H5O3- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr7.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

ICH2CO2 anion + Water = (ICH2CO2 anion • Water)

By formula: C2H2IO2- + H2O = (C2H2IO2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr7.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

FCH2CO2 anion + Water = (FCH2CO2 anion • Water)

By formula: C2H2FO2- + H2O = (C2H2FO2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr8.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

benzoate anion + Water = (benzoate anion • Water)

By formula: C7H5O2- + H2O = (C7H5O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr8.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(CH4NO+ • 3Water) + Water = (CH4NO+ • 4Water)

By formula: (CH4NO+ • 3H2O) + H2O = (CH4NO+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.7kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr9.7kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr20.2cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(CH4NO+ • 4Water) + Water = (CH4NO+ • 5Water)

By formula: (CH4NO+ • 4H2O) + H2O = (CH4NO+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.9kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr9.9kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr25.6cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr25.6cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

C2H5LiO (cr) + 0.5(Sulfuric Acid • 1100Water) (solution) = 0.5Li2O4S (solution) + Ethanol (solution)

By formula: C2H5LiO (cr) + 0.5(H2O4S • 1100H2O) (solution) = 0.5Li2O4S (solution) + C2H6O (solution)

Quantity Value Units Method Reference Comment
Δr-27.15 ± 0.31kcal/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on -17.5±0.3 for the enthalpy of solution of Li2SO4(cr) Blanchard, Joly, et al., 1974.; MS

C2H4NO2- + Water = C2H6NO3-

By formula: C2H4NO2- + H2O = C2H6NO3-

Quantity Value Units Method Reference Comment
Δr17.33 ± 0.50kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Δr16.00 ± 0.30kcal/molN/AWincel, 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr9.3 ± 1.0kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Δr8.20 ± 0.40kcal/molTDAsWincel, 2008gas phase; B

(Chlorine anion • Water • Sulfur dioxide) + Water = (Chlorine anion • 2Water • Sulfur dioxide)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.30kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.7cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr3.40kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

(Fluorine anion • 5Water) + Water = (Fluorine anion • 6Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.90 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr3.5 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Fluorine anion • 6Water) + Water = (Fluorine anion • 7Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.40 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr2.6 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Fluorine anion • 8Water) + Water = (Fluorine anion • 9Water)

By formula: (F- • 8H2O) + H2O = (F- • 9H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.10 ± 0.50kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr32.8cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr1.3 ± 2.1kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

ClO4- + Water = (ClO4- • Water)

By formula: ClO4- + H2O = (ClO4- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

CH5O+ + Water = (CH5O+ • Water)

By formula: CH5O+ + H2O = (CH5O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr27.6kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr25.kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr29.4cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr23.cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

C2H5KO (cr) + 0.5(Sulfuric Acid • 1100Water) (solution) = Ethanol (solution) + 0.5K2O4S (solution)

By formula: C2H5KO (cr) + 0.5(H2O4S • 1100H2O) (solution) = C2H6O (solution) + 0.5K2O4S (solution)

Quantity Value Units Method Reference Comment
Δr-31.62 ± 0.69kcal/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on 35.1±0.1 for the enthalpy of solution of K2SO4(cr) Blanchard, Joly, et al., 1974.; MS

(C2H7O+ • Dimethyl ether • 2Water) + Dimethyl ether = (C2H7O+ • 2Dimethyl ether • 2Water)

By formula: (C2H7O+ • C2H6O • 2H2O) + C2H6O = (C2H7O+ • 2C2H6O • 2H2O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Δr15.8kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr36.5cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, Entropy change is questionable; M

C4H10NO+ + Water = (C4H10NO+ • Water)

By formula: C4H10NO+ + H2O = (C4H10NO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr16.5kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.3cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

CH4NO+ + Water = (CH4NO+ • Water)

By formula: CH4NO+ + H2O = (CH4NO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr21.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr21.3kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr27.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr27.2cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

(Chlorine anion • 2Sulfur dioxide) + Water = (Chlorine anion • Water • 2Sulfur dioxide)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.90kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.7cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr3.10kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

(Chlorine anion • 2Hydrogen chloride) + Water = (Chlorine anion • Water • 2Hydrogen chloride)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.6kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr15.2cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.5kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr18.7cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M

(Potassium ion (1+) • Water • 2Benzene) + Water = (Potassium ion (1+) • 2Water • 2Benzene)

By formula: (K+ • H2O • 2C6H6) + H2O = (K+ • 2H2O • 2C6H6)

Quantity Value Units Method Reference Comment
Δr12.2kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr29.4cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

Acetyl chloride + Water = Acetic acid + Hydrogen chloride

By formula: C2H3ClO + H2O = C2H4O2 + HCl

Quantity Value Units Method Reference Comment
Δr-22.58kcal/molCmDevore and O'Neal, 1969liquid phase; Heat of hydrolysis; ALS
Δr-22.06kcal/molCmPritchard and Skinner, 1950liquid phase; Heat of hydrolysis at 298 K, see Carson and Skinner, 1949; ALS
Δr-22.09kcal/molCmCarson and Skinner, 1949liquid phase; ALS

(C2H4N+ • Water) + Water = (C2H4N+ • 2Water)

By formula: (C2H4N+ • H2O) + H2O = (C2H4N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.0 ± 1.7kcal/molCIDHonma, Sunderlin, et al., 1993gas phase; guided ion beam CID; M
Δr17.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr25.1cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas 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
Δr11.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr4.2kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(C3H10N+ • 2Water) + Water = (C3H10N+ • 3Water)

By formula: (C3H10N+ • 2H2O) + H2O = (C3H10N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.9cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr3.4kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(C6H18N2+2 • Water) + Water = (C6H18N2+2 • 2Water)

By formula: (C6H18N2+2 • H2O) + H2O = (C6H18N2+2 • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.2kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr23.1cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr10.4kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Tetramethyl orthocarbonate + Water = Carbonic acid, dimethyl ester + 2Methyl Alcohol

By formula: C5H12O4 + H2O = C3H6O3 + 2CH4O

Quantity Value Units Method Reference Comment
Δr7.521 ± 0.011kcal/molCmWiberg, 1980liquid phase; solvent: Water; Hydroysis; ALS
Δr-7.521 ± 0.011kcal/molCmWiberg and Squires, 1979liquid phase; solvent: Water; Hydrolysis; ALS
Δr-7.43 ± 0.41kcal/molCmHine and Klueppet, 1974liquid phase; ALS

(C10H26N2+2 • Water) + Water = (C10H26N2+2 • 2Water)

By formula: (C10H26N2+2 • H2O) + H2O = (C10H26N2+2 • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.8kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr9.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C12H30N2 • Water) + Water = (C12H30N2 • 2Water)

By formula: (C12H30N2 • H2O) + H2O = (C12H30N2 • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.7kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr23.2cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr8.8kcal/molES/HPMSBlades, Klassen, et al., 1996gas 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
Δr13.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.7cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr6.2kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(C3H10N+ • Water) + Water = (C3H10N+ • 2Water)

By formula: (C3H10N+ • H2O) + H2O = (C3H10N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.4kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr4.3kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(C3H9O+ • 6Water) + Water = (C3H9O+ • 7Water)

By formula: (C3H9O+ • 6H2O) + H2O = (C3H9O+ • 7H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.9kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AHiraoka, Takimoto, et al., 1986gas phase; Entropy change calculated or estimated; M

(C7H22+2 • Water) + Water = (C7H22+2 • 2Water)

By formula: (C7H22+2 • H2O) + H2O = (C7H22+2 • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.2kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr23.7cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr9.8kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C8H22N2+2 • Water) + Water = (C8H22N2+2 • 2Water)

By formula: (C8H22N2+2 • H2O) + H2O = (C8H22N2+2 • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.8kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr23.8cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr9.7kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C9H24N2+2 • Water) + Water = (C9H24N2+2 • 2Water)

By formula: (C9H24N2+2 • H2O) + H2O = (C9H24N2+2 • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr23.4cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr9.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(Hydronium cation • 12Water) + Water = (Hydronium cation • 13Water)

By formula: (H3O+ • 12H2O) + H2O = (H3O+ • 13H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.30kcal/molMKERShi, Ford, et al., 1993gas phase; M
Δr6.7kcal/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr37.92cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

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.

Magnera, David, et al., 1989
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Holland and Castleman, 1982
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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]

Davidson, Sunner J., et al., 1979
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Sunner, Nishizawa, et al., 1981
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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]

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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]

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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]

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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]

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]

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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]

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]

Nieckarz, Atkins, et al., 2008
Nieckarz, R.J.; Atkins, C.G.; McMahon, T.B., Effects of Isomerization on the Measured Thermochemical Properties of Deprotonated Glycine/Protic-Solvent Clusters, Chemphyschem, 2008, 9, 18, 2816-2825, https://doi.org/10.1002/cphc.200800525 . [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]

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Upschulte, B.L.; Schelling, F.J.; Keesee, R.G.; Castleman, A.W., Thermochemical Properties of Gas Phase Mixed Clusters: Water and Sulfur Dioxide with Na+ and Cl-, Chem. Phys. Lett., 1984, 111, 4-5, 389, https://doi.org/10.1016/0009-2614(84)85526-8 . [all data]

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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]

Hiraoka, Grimsrud, et al., 1974
Hiraoka, K.; Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Hydrogen Ion in Water - Dimethyl Ether and Methanol - Dimethyl Ether Mixtures, J. Am. Chem. Soc., 1974, 96, 11, 3359, https://doi.org/10.1021/ja00818a004 . [all data]

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

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Devore, J.A.; O'Neal, H.E., Heats of formation of the acetyl halides and of the acetyl radical, J. Phys. Chem., 1969, 73, 2644-2648. [all data]

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Pritchard, H.O.; Skinner, H.A., The heats of hydrolysis of the chloro-substituted acetyl chlorides, J. Chem. Soc., 1950, 272-276. [all data]

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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]

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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]

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Wiberg, K.B.; Squires, R.R., A microprocessor-controlled system for precise measurement of temperature changes. Determination of the enthalpies of hydrolysis of some polyoxygenated hydrocarbons, J. Chem. Thermodyn., 1979, 11, 773-786. [all data]

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Hine, J.; Klueppet, A.W., Structural effects on rates and equilibria. XVIII. Thermodynamic stability of ortho esters, J. Am. Chem. Soc., 1974, 96, 2924-2929. [all data]

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Shi, Z.; Ford, V.; Wei, S.; Castleman, A.W., Water Clusters - Contributions of Binding Energy and Entropy to Stability, J. Chem. Phys., 1993, 99, 10, 8009, https://doi.org/10.1063/1.465678 . [all data]

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Magnera, T.F.; David, D.E.; Michl, J., The First Twenty - Eight Proton Hydration Energies, Chem. Phys. Lett., 1991, 182, 3-4, 363, https://doi.org/10.1016/0009-2614(91)80230-U . [all data]


Notes

Go To: Top, Reaction thermochemistry data, References