Water

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Reaction thermochemistry data

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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
Δr12.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.20 ± 0.20kcal/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
Δr12.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.10 ± 0.20kcal/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
Δr18.6kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KN/ABlades, Klassen, et al., 1996gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr12.2kcal/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
Δr11.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.6cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.8334.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
Δr10.3kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.1280.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
Δr10.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.1cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.0284.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
Δr12.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.9375.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
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.2300.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
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.1300.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
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.3300.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
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.4300.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
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.2300.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
Δr15. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990, 2gas phase; electospray, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.0300.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
Δr13.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr6.90 ± 0.20kcal/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
Δr13.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr6.90 ± 0.20kcal/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
Δr8.4kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.0255.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
Δr9.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.6cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.4268.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
Δr9.7kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5281.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
Δr9.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5269.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
Δr9.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr18.7cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.8284.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
Δr9.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5269.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
Δr8.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.9cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.1259.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
Δr14.8kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.3433.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
Δr14.8kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.3433.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
Δr15.1kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.6434.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
Δr12.5kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.0433.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
Δr14.7kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.2433.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
Δr13.9kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.4433.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
Δr16.1kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6433.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
Δr17.3kcal/molPHPMSLau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ALau, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.8433.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
Δr14.0 ± 1.0kcal/molTDAsBlades, Ho, et al., 1996gas phase; B
Δr14.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr7.7 ± 1.0kcal/molTDAsBlades, Ho, et al., 1996gas phase; B
Δr7.60 ± 0.30kcal/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
Δr8.9kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.0269.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
Δr12.3 ± 1.0kcal/molTDAsBlades, Ho, et al., 1996gas phase; B
Δr13.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.10 ± 0.50kcal/molTDAsBlades, Ho, et al., 1996gas phase; B
Δr6.10 ± 0.30kcal/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
Δr12.3 ± 1.0kcal/molTDAsBlades, Ho, et al., 1996, 2gas phase; B
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
Δr6.1 ± 1.0kcal/molTDAsBlades, Ho, et al., 1996, 2gas phase; B
Δr4.80 ± 0.30kcal/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
Δr15.6kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr15.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr22.8cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr21.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr8.8kcal/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
Δr10.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; DG<=, ΔrH<=, (ΔrS); M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; DG<=, ΔrH<=, (ΔrS); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.8257.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
Δr21.2kcal/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
Δr24.5cal/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
Δr16.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr9.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr8.40 ± 0.20kcal/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
Δr12.4kcal/molHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Quantity Value Units Method Reference Comment
Δr5.5kcal/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
Δr8.9 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr2.9 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.7262.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
Δr11.00kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr33.cal/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.10kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B

CO3- + Water = CH2O4-

By formula: CO3- + H2O = CH2O4-

Quantity Value Units Method Reference Comment
Δr14.10 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B
Δr11.5 ± 1.0kcal/molIMREFehsenfeld and Ferguson, 1974gas phase; B
Δr<38.50kcal/molPDisSmith, Lee, et al., 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr6.60 ± 0.40kcal/molTDAsKeesee, Lee, et al., 1979gas phase; B
Δr6.70 ± 0.40kcal/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
Δr14.4kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ADeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.4318.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
Δr10.40 ± 0.20kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr11.40 ± 0.30kcal/molTDAsEvans and Keesee, 1991gas phase; For solvation by MeOH of core ion; B
Quantity Value Units Method Reference Comment
Δr5.80kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr6.00kcal/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
Δr9.4 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr3.4 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.2262.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
Δr13.4kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr7.0kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.1293.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
Δr13.6kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr24.5cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr6.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.4293.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
Δr15.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr24.cal/mol*KN/AMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr8.4kcal/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
Δr11.7 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B,M
Δr11.7kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr18.1cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr18.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr6.3 ± 1.4kcal/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
Δr8.1kcal/molPHPMSEl-Shall, Daly, et al., 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AEl-Shall, Daly, et al., 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.5225.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