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:
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 151 to 200

(HCO2 anion • 2Water) + Water = (HCO2 anion • 3Water)

By formula: (CHO2- • 2H2O) + H2O = (CHO2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr50.6 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr21.3 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr21.8 ± 0.84kJ/molN/AViidanoja, Reiner, et al., 2000gas phase; B

(EtCO2 anion • 2Water) + Water = (EtCO2 anion • 3Water)

By formula: (C3H5O2- • 2H2O) + H2O = (C3H5O2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr50.6 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr21.3 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr21.3 ± 0.84kJ/molN/AViidanoja, Reiner, et al., 2000gas phase; B

C5H16N2+2 + Water = (C5H16N2+2 • Water)

By formula: C5H16N2+2 + H2O = (C5H16N2+2 • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr77.8kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr90.0J/mol*KN/ABlades, Klassen, et al., 1996gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr51.0kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; Entropy change calculated or estimated; M

(C2H5O2+ • 3Water) + Water = (C2H5O2+ • 4Water)

By formula: (C2H5O2+ • 3H2O) + H2O = (C2H5O2+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr46.0kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr90.4J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
16.334.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(C2H5O2+ • 4Water) + Water = (C2H5O2+ • 5Water)

By formula: (C2H5O2+ • 4H2O) + H2O = (C2H5O2+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr43.1kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr88.7J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
17.280.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(C5H9O+ • 3Water) + Water = (C5H9O+ • 4Water)

By formula: (C5H9O+ • 3H2O) + H2O = (C5H9O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr41.8kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr88.3J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
17.284.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(C8H9O • 2Water) + Water = (C8H9O • 3Water)

By formula: (C8H9O • 2H2O) + H2O = (C8H9O • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr50.6kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr91.6J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
16.375.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(Ni+2 • 7Water) + Water = (Ni+2 • 8Water)

By formula: (Ni+2 • 7H2O) + H2O = (Ni+2 • 8H2O)

Quantity Value Units Method Reference Comment
Δr60. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
34.300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Ni+2 • 8Water) + Water = (Ni+2 • 9Water)

By formula: (Ni+2 • 8H2O) + H2O = (Ni+2 • 9H2O)

Quantity Value Units Method Reference Comment
Δr60. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
34.300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Mn+2 • 8Water) + Water = (Mn+2 • 9Water)

By formula: (Mn+2 • 8H2O) + H2O = (Mn+2 • 9H2O)

Quantity Value Units Method Reference Comment
Δr60. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
35.300.HPMSBlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M

(Mg+2 • 7Water) + Water = (Mg+2 • 8Water)

By formula: (Mg+2 • 7H2O) + H2O = (Mg+2 • 8H2O)

Quantity Value Units Method Reference Comment
Δr60. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
35.300.HPMSBlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M

(Mg+2 • 8Water) + Water = (Mg+2 • 9Water)

By formula: (Mg+2 • 8H2O) + H2O = (Mg+2 • 9H2O)

Quantity Value Units Method Reference Comment
Δr60. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
34.300.HPMSBlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M

(Sr+2 • 8Water) + Water = (Sr+2 • 9Water)

By formula: (Sr+2 • 8H2O) + H2O = (Sr+2 • 9H2O)

Quantity Value Units Method Reference Comment
Δr60. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.300.HPMSBlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M

(HCO2 anion • Water) + Water = (HCO2 anion • 2Water)

By formula: (CHO2- • H2O) + H2O = (CHO2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr57.7 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr28.5 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr28.9 ± 0.84kJ/molN/AViidanoja, Reiner, et al., 2000gas phase; B

(EtCO2 anion • Water) + Water = (EtCO2 anion • 2Water)

By formula: (C3H5O2- • H2O) + H2O = (C3H5O2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr56.9 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr27.6 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr28.9 ± 0.84kJ/molN/AViidanoja, Reiner, et al., 2000gas phase; B

(C2H8N+ • 5Water) + Water = (C2H8N+ • 6Water)

By formula: (C2H8N+ • 5H2O) + H2O = (C2H8N+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr35.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr88.7J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.255.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(C4H10NO+ • 3Water) + Water = (C4H10NO+ • 4Water)

By formula: (C4H10NO+ • 3H2O) + H2O = (C4H10NO+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr38.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr90.4J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
14.268.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(C5H9O+ • 4Water) + Water = (C5H9O+ • 5Water)

By formula: (C5H9O+ • 4H2O) + H2O = (C5H9O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr41.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr91.2J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.281.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(C7H11O+ • 3Water) + Water = (C7H11O+ • 4Water)

By formula: (C7H11O+ • 3H2O) + H2O = (C7H11O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr38.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr87.0J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.269.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(C8H9O • 3Water) + Water = (C8H9O • 4Water)

By formula: (C8H9O • 3H2O) + H2O = (C8H9O • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr38.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr78.2J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
16.284.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(CH6N+ • 4Water) + Water = (CH6N+ • 5Water)

By formula: (CH6N+ • 4H2O) + H2O = (CH6N+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr38.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr85.4J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.269.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

(CH6N+ • 5Water) + Water = (CH6N+ • 6Water)

By formula: (CH6N+ • 5H2O) + H2O = (CH6N+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr36.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr87.4J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.259.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

C6H7ClN+ + Water = (C6H7ClN+ • Water)

By formula: C6H7ClN+ + H2O = (C6H7ClN+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr61.9kJ/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
22.433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C6H7FN+ + Water = (C6H7FN+ • Water)

By formula: C6H7FN+ + H2O = (C6H7FN+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr61.9kJ/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
22.433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C6H8N+ + Water = (C6H8N+ • Water)

By formula: C6H8N+ + H2O = (C6H8N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr63.2kJ/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
23.434.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C6H8NO+ + Water = (C6H8NO+ • Water)

By formula: C6H8NO+ + H2O = (C6H8NO+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr52.3kJ/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C6H9N2+ + Water = (C6H9N2+ • Water)

By formula: C6H9N2+ + H2O = (C6H9N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr61.5kJ/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
22.433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C6H9N2+ + Water = (C6H9N2+ • Water)

By formula: C6H9N2+ + H2O = (C6H9N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr58.2kJ/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C7H7F3N+ + Water = (C7H7F3N+ • Water)

By formula: C7H7F3N+ + H2O = (C7H7F3N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr67.4kJ/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C7H7N2+ + Water = (C7H7N2+ • Water)

By formula: C7H7N2+ + H2O = (C7H7N2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr72.4kJ/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.433.PHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

CAS Reg. No. 14066-20-7 + Water = H4O5P-

By formula: CAS Reg. No. 14066-20-7 + H2O = H4O5P-

Quantity Value Units Method Reference Comment
Δr58.6 ± 4.2kJ/molTDAsBlades, Ho, et al., 1996gas phase; B
Δr61.1 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr32. ± 4.2kJ/molTDAsBlades, Ho, et al., 1996gas phase; B
Δr31.8 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

(CH5O+ • 6Water) + Water = (CH5O+ • 7Water)

By formula: (CH5O+ • 6H2O) + H2O = (CH5O+ • 7H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr37.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.269.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

H4O5P- + 2Water = H6O6P-

By formula: H4O5P- + 2H2O = H6O6P-

Quantity Value Units Method Reference Comment
Δr51.5 ± 4.2kJ/molTDAsBlades, Ho, et al., 1996gas phase; B
Δr54.8 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr25.5 ± 2.1kJ/molTDAsBlades, Ho, et al., 1996gas phase; B
Δr25.5 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

H6O6P- + 3Water = H8O7P-

By formula: H6O6P- + 3H2O = H8O7P-

Quantity Value Units Method Reference Comment
Δr51.5 ± 4.2kJ/molTDAsBlades, Ho, et al., 1996, 2gas phase; B
Δr49.4 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr26. ± 4.2kJ/molTDAsBlades, Ho, et al., 1996, 2gas phase; B
Δr20.1 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B

C3H10N+ + Water = (C3H10N+ • Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr65.3kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr63.2kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr95.4J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr90.0J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr37.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

(C6H15O3+ • 2Water) + Water = (C6H15O3+ • 3Water)

By formula: (C6H15O3+ • 2H2O) + H2O = (C6H15O3+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr42.7kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; DG<=, ΔrH<=, (ΔrS); M
Quantity Value Units Method Reference Comment
Δr105.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; DG<=, ΔrH<=, (ΔrS); M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
16.257.PHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; DG<=, ΔrH<=, (ΔrS); M

H3S+ + Water = (H3S+ • Water)

By formula: H3S+ + H2O = (H3S+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr88.7kJ/molPHPMSHiraoka and Kebarle, 1977gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Cunningham, Payzant, et al., 1972, Yamdagni and Kebarle, 1976; M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KPHPMSHiraoka and Kebarle, 1977gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Cunningham, Payzant, et al., 1972, Yamdagni and Kebarle, 1976; M

EtCO2 anion + Water = (EtCO2 anion • Water)

By formula: C3H5O2- + H2O = (C3H5O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr68.2 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr38.9 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr35.1 ± 0.84kJ/molN/AViidanoja, Reiner, et al., 2000gas phase; B

(Sodium ion (1+) • 2Water • Carbon dioxide) + Water = (Sodium ion (1+) • 3Water • Carbon dioxide)

By formula: (Na+ • 2H2O • CO2) + H2O = (Na+ • 3H2O • CO2)

Quantity Value Units Method Reference Comment
Δr51.9kJ/molHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Quantity Value Units Method Reference Comment
Δr23.kJ/molHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M

(CN- • Water • 2Hydrogen cyanide) + Water = (CN- • 2Water • 2Hydrogen cyanide)

By formula: (CN- • H2O • 2CHN) + H2O = (CN- • 2H2O • 2CHN)

Quantity Value Units Method Reference Comment
Δr37. ± 4.2kJ/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr12. ± 5.9kJ/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.262.PHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(Fluorine anion • 9Water) + Water = (Fluorine anion • 10Water)

By formula: (F- • 9H2O) + H2O = (F- • 10H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr46.02kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr140.J/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr4.60kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B

CO3- + Water = CH2O4-

By formula: CO3- + H2O = CH2O4-

Quantity Value Units Method Reference Comment
Δr58.99 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1979gas phase; B
Δr48.1 ± 4.2kJ/molIMREFehsenfeld and Ferguson, 1974gas phase; B
Δr<161.1kJ/molPDisSmith, Lee, et al., 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr27.6 ± 1.7kJ/molTDAsKeesee, Lee, et al., 1979gas phase; B
Δr28.0 ± 1.7kJ/molIMREFehsenfeld and Ferguson, 1974gas phase; B

(C2H4N+ • Acetonitrile • 4Water) + Acetonitrile = (C2H4N+ • 2Acetonitrile • 4Water)

By formula: (C2H4N+ • C2H3N • 4H2O) + C2H3N = (C2H4N+ • 2C2H3N • 4H2O)

Quantity Value Units Method Reference Comment
Δr60.2kJ/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/ADeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
31.318.PHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated; M

H4ClO2- + Methyl Alcohol + 2Water = CH8ClO3-

By formula: H4ClO2- + CH4O + 2H2O = CH8ClO3-

Quantity Value Units Method Reference Comment
Δr43.51 ± 0.84kJ/molTDAsEvans and Keesee, 1991gas phase; B
Δr47.7 ± 1.3kJ/molTDAsEvans and Keesee, 1991gas phase; For solvation by MeOH of core ion; B
Quantity Value Units Method Reference Comment
Δr24.3kJ/molTDAsEvans and Keesee, 1991gas phase; B
Δr25.1kJ/molTDAsEvans and Keesee, 1991gas phase; For solvation by MeOH of core ion; B

(CN- • 3Hydrogen cyanide) + Water = (CN- • Water • 3Hydrogen cyanide)

By formula: (CN- • 3CHN) + H2O = (CN- • H2O • 3CHN)

Quantity Value Units Method Reference Comment
Δr39. ± 4.2kJ/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr14. ± 5.9kJ/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.262.PHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(C12H30N2 • 2Water) + Water = (C12H30N2 • 3Water)

By formula: (C12H30N2 • 2H2O) + H2O = (C12H30N2 • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr56.1kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr90.0J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr29.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
30.293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(C12H30N2 • 3Water) + Water = (C12H30N2 • 4Water)

By formula: (C12H30N2 • 3H2O) + H2O = (C12H30N2 • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr56.9kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr26.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
27.293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(CH2N+ • Hydrogen cyanide • Water) + Hydrogen cyanide = (CH2N+ • 2Hydrogen cyanide • Water)

By formula: (CH2N+ • CHN • H2O) + CHN = (CH2N+ • 2CHN • H2O)

Quantity Value Units Method Reference Comment
Δr65.3kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/AMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr35.kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M

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

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

Quantity Value Units Method Reference Comment
Δr49.0 ± 4.2kJ/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B,M
Δr49.0kJ/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr75.7J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr75.7J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr26. ± 5.9kJ/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B

(C3H10N+ • Water • Methylamine, N,N-dimethyl-) + Water = (C3H10N+ • 2Water • Methylamine, N,N-dimethyl-)

By formula: (C3H10N+ • H2O • C3H9N) + H2O = (C3H10N+ • 2H2O • C3H9N)

Quantity Value Units Method Reference Comment
Δr34.kJ/molPHPMSEl-Shall, Daly, et al., 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/AEl-Shall, Daly, et al., 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
10.225.PHPMSEl-Shall, Daly, et al., 1992gas phase; Entropy change calculated or estimated; 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.

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]

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]

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]

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]

Blades, Jayaweera, et al., 1990
Blades, A.T.; Jayaweera, P.; Ikonomou, M.G.; Kebarle, P., Ion - Molecule Clusters Involving Doubly Charged Metal - Ions (M2+), Int. J. Mass Spectrom. Ion Proc., 1990, 102, 251, https://doi.org/10.1016/0168-1176(90)80064-A . [all data]

Blades, Jayaweera, et al., 1990, 2
Blades, A.T.; Jayaweera, P.; Ikonomou, M.G.; Kebarle, P., Studies of Alkaline - Earth and Transition - Metal M++ Gas - Phase Ion Chemistry, J. Chem. Phys., 1990, 92, 10, 5900, https://doi.org/10.1063/1.458360 . [all data]

Lau, Nishizawa, et al., 1981
Lau, Y.K.; Nishizawa, K.; Tse, A.; Brown, R.S.; Kebarle, P., Protonation and Site of Protonation in Anilines. Hydration and Site of Protonation after Hydration, J. Am. Chem. Soc., 1981, 103, 21, 6291, https://doi.org/10.1021/ja00411a004 . [all data]

Blades, Ho, et al., 1996
Blades, A.T.; Ho, Y.; Kebarle, P., Hydration in the Gas Phase of the Orthophosphate Anion (HO)2PO2-, and the Conversion of the Orthophosphate anion to the Metaphosphate, PO3-, Ion, J. Am. Chem. Soc., 1996, 118, 1, 196, https://doi.org/10.1021/ja952169w . [all data]

Blades, Ho, et al., 1996, 2
Blades, A.T.; Ho, Y.; Kebarle, P., Free Energies of Hydration in the Gas Phase of Some Phosphate Singly and Doubly Charged Anions: orthophosphate, diphosphate, Ribose-5-phosphate, Adenosine-5'-phosphate and Adenosine-5'-Dipho, J. Phys. Chem., 1996, 100, 6, 2443, https://doi.org/10.1021/jp952032s . [all data]

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]

Hiraoka and Kebarle, 1977
Hiraoka, K.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Proton in Hydrogen Sulfide and Hydrogen Sulfide - Water Mixtures. Stabilities of the Hydrogen Bonded Complexes H+(H2S)x(H2O)y, Can. J. Chem., 1977, 55, 1, 24, https://doi.org/10.1139/v77-005 . [all data]

Cunningham, Payzant, et al., 1972
Cunningham, A.J.; Payzant, J.D.; Kebarle, P., A Kinetic Study of the Proton Hydrate H+(H2O)n Equilibria in the Gas Phase, J. Am. Chem. Soc., 1972, 94, 22, 7627, https://doi.org/10.1021/ja00777a003 . [all data]

Yamdagni and Kebarle, 1976
Yamdagni, R.; Kebarle, P., Gas Phase Basicities and Proton Affinities of Compounds Between Water Ammonia and Substituted Benzenes from a Continuous Ladder of Proton Transfer Equilibrium Measurements, J. Am. Chem. Soc., 1976, 98, 6, 1320, https://doi.org/10.1021/ja00422a005 . [all data]

Peterson, Mark, et al., 1984
Peterson, K.I.; Mark, T.D.; Keesee, R.G.; Castleman, A.W., Thermochemical Properties of Gas - Phase Mixed Clusters: H2O/CO2 with Na+, J. Phys. Chem., 1984, 88, 13, 2880, https://doi.org/10.1021/j150657a042 . [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 (Mautner) M. and Speller, 1989
Meot-Ner (Mautner) M.; Speller, C.V., Multicomponent Cluster Ions. 2. Comparative Stabilities of Cationic and Anionic Hydrogen Bonded Networks. Mixed Clusters of Water and Hydrogen Cyanide, J. Phys. Chem., 1989, 93, 9, 3663, https://doi.org/10.1021/j100346a058 . [all data]

Meot-Ner (Mautner) and Speller, 1989
Meot-Ner (Mautner), M.; Speller, C.V., Multicomponent Cluster Ions.3. Comparative Stabilities of Cationic and Anionic Hydrogen Bonded Networks. Mixed Clusters of Water and Hydrogen Cyanide, J. Phys. Chem., 1989, 93, 6580. [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]

Keesee, Lee, et al., 1979
Keesee, R.G.; Lee, N.; Castleman Jr., Properties of Clusters in the Gas Phase. 3. Hydration Complexes of CO3- and HCO3-, J. Am. Chem. Soc., 1979, 101, 10, 2599, https://doi.org/10.1021/ja00504a015 . [all data]

Fehsenfeld and Ferguson, 1974
Fehsenfeld, F.C.; Ferguson, E.E., Laboratory studies of negative ion reactions with atmospheric trace constituents, J. Chem. Phys., 1974, 61, 3181. [all data]

Smith, Lee, et al., 1978
Smith, G.P.; Lee, L.C.; Cosby, P.C.; Peterson, J.R.; Moseley, J.T., Photodissociation and photodetachment of molecular negative ions. V. Atmospheric ions from 7000 to 8400 A), J. Chem. Phys., 1978, 68, 3818. [all data]

Deakyne, Meot-Ner (Mautner), et al., 1986
Deakyne, C.A.; Meot-Ner (Mautner), M.; Campbell, C.L.; Hughes, M.G.; Murphy, S.P., Multicomponent Cluster Ions. 1. The Acetonitrile - Water System, J. Chem. Phys., 1986, 90, 4648. [all data]

Evans and Keesee, 1991
Evans, D.H.; Keesee, R.G., Thermodynamics of Gas-Phase Mixed-Solvent Cluster Ions - Water and Methanol on K+ and Cl- and Comparison to Liquid Solutions, J. Phys. Chem., 1991, 95, 9, 3558, https://doi.org/10.1021/j100162a024 . [all data]

Klassen, Blades, et al., 1995
Klassen, J.S.; Blades, A.T.; Kebarle, P., Determinations of Ion-Molecule Equilibria Involving Ions Produced by Electrospray. Hydration of Protonated Amines, Diamines, and Some Small Peptides, J. Phys. Chem., 1995, 99, 42, 15509, https://doi.org/10.1021/j100042a027 . [all data]

Meot-ner, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

El-Shall, Daly, et al., 1992
El-Shall, M.S.; Daly, G.M.; Gao, J.; Meot-Ner (Mautner), M.; Sieck, L.W., How Sensitive are Cluster Compositions to Energetics? A Joint Beam Expansion/ Thermochemical Study of Water - Methanol - Trimethylamine Clusters, J. Phys. Chem., 1992, 96, 2, 507, https://doi.org/10.1021/j100181a002 . [all data]


Notes

Go To: Top, Reaction thermochemistry data, References