Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Water

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


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

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

Quantity Value Units Method Reference Comment
Deltar70. ± 10.kJ/molCIDMagnera, David, et al., 1989gas phase; M
Deltar68.6kJ/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KHPMSHolland and Castleman, 1982gas phase; M

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
56.9 (+7.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Quantity Value Units Method Reference Comment
Deltar60. ± 10.kJ/molCIDMagnera, David, et al., 1989gas phase; M
Deltar69.9kJ/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Deltar126.J/mol*KHPMSHolland and Castleman, 1982gas phase; M

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
54.0 (+4.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

C5H6N+ + Water = (C5H6N+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar67.4kJ/molPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Deltar62.8kJ/molPHPMSDavidson, Sunner J., et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Deltar113.J/mol*KPHPMSMeot-Ner M. and Sieck, 1983gas phase; M
Deltar107.J/mol*KPHPMSDavidson, Sunner J., et al., 1979gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar49.4kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
Deltar53.1kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar89.5J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

ClCH2CO2 anion + Water = (ClCH2CO2 anion bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar61.5 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar32.2 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

MeOCH2CO2 anion + Water = (MeOCH2CO2 anion bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar65.3 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar36.0 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

C2HF2O2- + Water = (C2HF2O2- bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar60.7 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar31.4 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar46.9 ± 1.7kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar131.J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; 0.4; M
Quantity Value Units Method Reference Comment
Deltar7.5 ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar49.4kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar49.4kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar87.9J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar87.9J/mol*KPHPMSMeot-Ner, 1984gas phase; M

(C4H10NO+ bullet Water) + Water = (C4H10NO+ bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar51.5kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar51.5kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar110.J/mol*KPHPMSMeot-Ner, 1984gas phase; M

(CH4NO+ bullet Water) + Water = (CH4NO+ bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar58.6kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar58.6kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar95.4J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar95.0J/mol*KPHPMSMeot-Ner, 1984gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar73.6 ± 4.2kJ/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B
Deltar74.9 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Quantity Value Units Method Reference Comment
Deltar46.9 ± 5.9kJ/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B
Deltar48.53kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar61.5 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar32.2 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

ICH2CO2 anion + Water = (ICH2CO2 anion bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar59.4 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar30.1 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

FCH2CO2 anion + Water = (FCH2CO2 anion bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar64.0 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar34.7 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

benzoate anion + Water = (benzoate anion bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar63.2 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar33.9 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar41.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar41.kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar84.5J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar84.5J/mol*KPHPMSMeot-Ner, 1984gas phase; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar41.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar41.kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar107.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar107.J/mol*KPHPMSMeot-Ner, 1984gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar-113.6 ± 1.3kJ/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -10.6 kJ/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
Deltar72.5 ± 2.1kJ/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Deltar66.9 ± 1.3kJ/molN/AWincel, 2008gas phase; B
Quantity Value Units Method Reference Comment
Deltar39. ± 4.2kJ/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Deltar34.3 ± 1.7kJ/molTDAsWincel, 2008gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar38.9kJ/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar82.4J/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar14.2kJ/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar45.6 ± 1.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar104.J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar15. ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar43.5 ± 1.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar109.J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar11. ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar46.4 ± 2.1kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar137.J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.4 ± 8.8kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

ClO4- + Water = (ClO4- bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar49.4 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar20.1 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

CH5O+ + Water = (CH5O+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar115.kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Deltar100.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Deltar96.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar-132.3 ± 2.9kJ/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -10.6 kJ/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+ bullet Dimethyl ether bullet 2Water) + Dimethyl ether = (C2H7O+ bullet 2Dimethyl ether bullet 2Water)

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

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

Quantity Value Units Method Reference Comment
Deltar66.1kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar153.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, Entropy change is questionable; M

C4H10NO+ + Water = (C4H10NO+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar69.0kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar69.0kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar110.J/mol*KPHPMSMeot-Ner, 1984gas phase; M

CH4NO+ + Water = (CH4NO+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar88.7kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar89.1kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar114.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Deltar114.J/mol*KPHPMSMeot-Ner, 1984gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar41.4kJ/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar95.0J/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar13.0kJ/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar32.kJ/molHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar63.6J/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar43.9kJ/molHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar78.2J/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M

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

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

Quantity Value Units Method Reference Comment
Deltar51.0kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar123.J/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
Deltar-94.47kJ/molCmDevore and O'Neal, 1969liquid phase; Heat of hydrolysis; ALS
Deltar-92.30kJ/molCmPritchard and Skinner, 1950liquid phase; Heat of hydrolysis at 298 K, see Carson and Skinner, 1949; ALS
Deltar-92.42kJ/molCmCarson and Skinner, 1949liquid phase; ALS

(C2H4N+ bullet Water) + Water = (C2H4N+ bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar62.8 ± 7.1kJ/molCIDHonma, Sunderlin, et al., 1993gas phase; guided ion beam CID; M
Deltar73.2kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar105.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar47.3kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar102.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.kJ/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar41.8kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar104.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar14.kJ/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(C6H18N2+2 bullet Water) + Water = (C6H18N2+2 bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar72.0kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar96.7J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar43.5kJ/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
Deltar31.47 ± 0.046kJ/molCmWiberg, 1980liquid phase; solvent: Water; Hydroysis; ALS
Deltar-31.466 ± 0.044kJ/molCmWiberg and Squires, 1979liquid phase; solvent: Water; Hydrolysis; ALS
Deltar-31.1 ± 1.7kJ/molCmHine and Klueppet, 1974liquid phase; ALS

(C10H26N2+2 bullet Water) + Water = (C10H26N2+2 bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar70.3kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar105.J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar39.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C12H30N2 bullet Water) + Water = (C12H30N2 bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar65.7kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar97.1J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar37.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C2H8N+ bullet Water) + Water = (C2H8N+ bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar56.5kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar103.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.kJ/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

(C3H10N+ bullet Water) + Water = (C3H10N+ bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar47.7kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar104.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.kJ/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar33.kJ/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/AHiraoka, Takimoto, et al., 1986gas phase; Entropy change calculated or estimated; M

(C7H22+2 bullet Water) + Water = (C7H22+2 bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar72.0kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar99.2J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar41.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C8H22N2+2 bullet Water) + Water = (C8H22N2+2 bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar70.3kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar99.6J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar41.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C9H24N2+2 bullet Water) + Water = (C9H24N2+2 bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar68.2kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar97.9J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar39.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar43.10kJ/molMKERShi, Ford, et al., 1993gas phase; M
Deltar28.kJ/molCIDMagnera, David, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Deltar158.7J/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
Magnera, T.F.; David, D.E.; Stulik, D.; Orth, R.G.; Jorikman, H.T.; Michl, J., Production of Hydrated Metal Ions by Fast Ion or Atom Beam Sputtering. Collision - Induced Dissociation and Successive Hydration Energies of Gaseous Cu+ with 1 - 4 Water Molecules, J. Am. Chem. Soc., 1989, 111, 14, 5036, https://doi.org/10.1021/ja00196a003 . [all data]

Holland and Castleman, 1982
Holland, P.M.; Castleman, A.W., The Thermochemical Properties of Gas - Phase Transition Metal Ion Complexes, J. Chem. Phys., 1982, 76, 8, 4195, https://doi.org/10.1063/1.443497 . [all data]

Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L., Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [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]

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]

Sunner, Nishizawa, et al., 1981
Sunner, J.; Nishizawa, K.; Kebarle, P., Ion - Solvent Molecule Interactions in the Gas Phase. Potassium Ion and Benzene, J. Phys. Chem., 1981, 85, 13, 1814, https://doi.org/10.1021/j150613a011 . [all data]

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]

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]

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]

Meot-Ner (Mautner), 1984
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]

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]

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]

Payzant, Yamdagni, et al., 1971
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]

Upschulte, Schelling, et al., 1984
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]

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]

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]

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]

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]

Devore and O'Neal, 1969
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]

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

Carson and Skinner, 1949
Carson, A.S.; Skinner, H.A., 201. Carbon-halogen bond energies in the acetyl halides, J. Chem. Soc., 1949, 936-939. [all data]

Honma, Sunderlin, et al., 1993
Honma, K.; Sunderlin, L.S.; Armentrout, P.B., Guided-Ion Beam Studies of the Reactions of Protonated Water Clusters, H(H2O)n+ (n = 1-4), with Acetonitrile, J. Chem. Phys., 1993, 99, 3, 1623, https://doi.org/10.1063/1.465331 . [all data]

Banic and Iribarne, 1985
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]

Blades, Klassen, et al., 1996
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]

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]

Wiberg and Squires, 1979
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]

Hine and Klueppet, 1974
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]

Shi, Ford, et al., 1993
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]

Magnera, David, et al., 1991
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