Dimethyl Sulfoxide

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-150.5 ± 1.5kJ/molCcrMasuda, Nagano, et al., 1994H2SO4 (1:115 H2O)

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, 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
RCD - Robert C. Dunbar
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.

Individual Reactions

C2H5OS- + Hydrogen cation = Dimethyl Sulfoxide

By formula: C2H5OS- + H+ = C2H6OS

Quantity Value Units Method Reference Comment
Δr1563. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1566. ± 9.6kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr1533. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1536. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

Nitrogen oxide anion + Dimethyl Sulfoxide = (Nitrogen oxide anion • Dimethyl Sulfoxide)

By formula: NO2- + C2H6OS = (NO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr80.3 ± 4.2kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/ASieck, 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr36. ± 4.2kJ/molTDAsSieck, 1985gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
36.420.PHPMSSieck, 1985gas phase; Entropy change calculated or estimated; M

C6H5NO2- + Dimethyl Sulfoxide = (C6H5NO2- • Dimethyl Sulfoxide)

By formula: C6H5NO2- + C2H6OS = (C6H5NO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr70.29 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr39.7 ± 0.84kJ/molTDAsSieck, 1985gas phase; B
Δr36. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H7NO3- + Dimethyl Sulfoxide = (C7H7NO3- • Dimethyl Sulfoxide)

By formula: C7H7NO3- + C2H6OS = (C7H7NO3- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr68.2 ± 8.4kJ/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Δr94.1J/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr35. ± 8.4kJ/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Bromine anion + Dimethyl Sulfoxide = (Bromine anion • Dimethyl Sulfoxide)

By formula: Br- + C2H6OS = (Br- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr72.38kJ/molTDAsMagnera, Caldwell, et al., 1984gas phase; B,M
Δr72.0kJ/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr89.5J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr45.61kJ/molTDAsMagnera, Caldwell, et al., 1984gas phase; B

Iodide + Dimethyl Sulfoxide = (Iodide • Dimethyl Sulfoxide)

By formula: I- + C2H6OS = (I- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr65.69kJ/molTDAsMagnera, Caldwell, et al., 1984gas phase; B,M
Δr67.kJ/molPHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr90.8J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr38.5kJ/molTDAsMagnera, Caldwell, et al., 1984gas phase; B

C7H4F3NO2- + Dimethyl Sulfoxide = (C7H4F3NO2- • Dimethyl Sulfoxide)

By formula: C7H4F3NO2- + C2H6OS = (C7H4F3NO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr61.1 ± 8.4kJ/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Δr93.3J/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr30. ± 8.4kJ/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Chlorine anion + Dimethyl Sulfoxide = (Chlorine anion • Dimethyl Sulfoxide)

By formula: Cl- + C2H6OS = (Cl- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr77.82kJ/molTDAsMagnera, Caldwell, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr85.4J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr52.30kJ/molTDAsMagnera, Caldwell, et al., 1984gas phase; B

C2H7OS+ + Dimethyl Sulfoxide = (C2H7OS+ • Dimethyl Sulfoxide)

By formula: C2H7OS+ + C2H6OS = (C2H7OS+ • C2H6OS)

Quantity Value Units Method Reference Comment
Δr129.kJ/molPHPMSLau, Saluja, et al., 1980gas phase; switching reaction((CH3)2SOH+)(CH3)2CO; M
Quantity Value Units Method Reference Comment
Δr95.8J/mol*KPHPMSLau, Saluja, et al., 1980gas phase; switching reaction((CH3)2SOH+)(CH3)2CO; M

(C2H7OS+ • Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (C2H7OS+ • 2Dimethyl Sulfoxide)

By formula: (C2H7OS+ • C2H6OS) + C2H6OS = (C2H7OS+ • 2C2H6OS)

Quantity Value Units Method Reference Comment
Δr89.1kJ/molPHPMSLau, Saluja, et al., 1980gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr45.6J/mol*KPHPMSLau, Saluja, et al., 1980gas phase; Entropy change is questionable; M

(Potassium ion (1+) • 4Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Potassium ion (1+) • 5Dimethyl Sulfoxide)

By formula: (K+ • 4C2H6OS) + C2H6OS = (K+ • 5C2H6OS)

Quantity Value Units Method Reference Comment
Δr66.1kJ/molHPMSSunner, 1984gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr150.J/mol*KHPMSSunner, 1984gas phase; Entropy change is questionable; M

(Potassium ion (1+) • 5Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Potassium ion (1+) • 6Dimethyl Sulfoxide)

By formula: (K+ • 5C2H6OS) + C2H6OS = (K+ • 6C2H6OS)

Quantity Value Units Method Reference Comment
Δr64.9kJ/molHPMSSunner, 1984gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr170.J/mol*KHPMSSunner, 1984gas phase; Entropy change is questionable; M

C6H4FNO2- + Dimethyl Sulfoxide = (C6H4FNO2- • Dimethyl Sulfoxide)

By formula: C6H4FNO2- + C2H6OS = (C6H4FNO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr33. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.343.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Dimethyl Sulfoxide = (C6H4FNO2- • Dimethyl Sulfoxide)

By formula: C6H4FNO2- + C2H6OS = (C6H4FNO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr34. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
34.343.PHPMSChowdhury, 1987gas phase; M

C6H4ClNO2- + Dimethyl Sulfoxide = (C6H4ClNO2- • Dimethyl Sulfoxide)

By formula: C6H4ClNO2- + C2H6OS = (C6H4ClNO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr31. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
31.343.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Dimethyl Sulfoxide = (C6H4FNO2- • Dimethyl Sulfoxide)

By formula: C6H4FNO2- + C2H6OS = (C6H4FNO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr33. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.343.PHPMSChowdhury, 1987gas phase; M

C6H4ClNO2- + Dimethyl Sulfoxide = (C6H4ClNO2- • Dimethyl Sulfoxide)

By formula: C6H4ClNO2- + C2H6OS = (C6H4ClNO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr33. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.343.PHPMSChowdhury, 1987gas phase; M

C6H4ClNO2- + Dimethyl Sulfoxide = (C6H4ClNO2- • Dimethyl Sulfoxide)

By formula: C6H4ClNO2- + C2H6OS = (C6H4ClNO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr32. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
32.343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Dimethyl Sulfoxide = (C6H4N2O4- • Dimethyl Sulfoxide)

By formula: C6H4N2O4- + C2H6OS = (C6H4N2O4- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr18. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Dimethyl Sulfoxide = (C6H4N2O4- • Dimethyl Sulfoxide)

By formula: C6H4N2O4- + C2H6OS = (C6H4N2O4- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr26. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
26.343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Dimethyl Sulfoxide = (C6H4N2O4- • Dimethyl Sulfoxide)

By formula: C6H4N2O4- + C2H6OS = (C6H4N2O4- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr25. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
25.343.PHPMSChowdhury, 1987gas phase; M

C7H7NO2- + Dimethyl Sulfoxide = (C7H7NO2- • Dimethyl Sulfoxide)

By formula: C7H7NO2- + C2H6OS = (C7H7NO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr36. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
36.343.PHPMSChowdhury, 1987gas phase; M

C6F4O2- + Dimethyl Sulfoxide = (C6F4O2- • Dimethyl Sulfoxide)

By formula: C6F4O2- + C2H6OS = (C6F4O2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr19. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
19.343.PHPMSChowdhury, 1987gas phase; M

p-Benzoquinone anion + Dimethyl Sulfoxide = (p-Benzoquinone anion • Dimethyl Sulfoxide)

By formula: C6H4O2- + C2H6OS = (C6H4O2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr26. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
26.343.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Dimethyl Sulfoxide = (C7H4N2O2- • Dimethyl Sulfoxide)

By formula: C7H4N2O2- + C2H6OS = (C7H4N2O2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr28. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.343.PHPMSChowdhury, 1987gas phase; M

Potassium ion (1+) + Dimethyl Sulfoxide = (Potassium ion (1+) • Dimethyl Sulfoxide)

By formula: K+ + C2H6OS = (K+ • C2H6OS)

Quantity Value Units Method Reference Comment
Δr130.kJ/molCIDTKlassen, Anderson, et al., 1996RCD
Δr150.kJ/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KHPMSSunner, 1984gas phase; M

C4H2O3- + Dimethyl Sulfoxide = (C4H2O3- • Dimethyl Sulfoxide)

By formula: C4H2O3- + C2H6OS = (C4H2O3- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr28. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.343.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Dimethyl Sulfoxide = (C7H4N2O2- • Dimethyl Sulfoxide)

By formula: C7H4N2O2- + C2H6OS = (C7H4N2O2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr28. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.343.PHPMSChowdhury, 1987gas phase; M

2Dimethyl sulfide + Oxygen = 2Dimethyl Sulfoxide

By formula: 2C2H6S + O2 = 2C2H6OS

Quantity Value Units Method Reference Comment
Δr-277.7 ± 0.84kJ/molCmDouglas, 1946liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -278.3 ± 0.8 kJ/mol; At 291°K; ALS

Dimethyl sulfone = Dimethyl Sulfoxide + 0.5Oxygen

By formula: C2H6O2S = C2H6OS + 0.5O2

Quantity Value Units Method Reference Comment
Δr243.3 ± 0.84kJ/molCmDouglas, 1946liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 246.9 ± 0.8 kJ/mol; At 291°K; ALS

(Chlorine anion • 2Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Chlorine anion • 3Dimethyl Sulfoxide)

By formula: (Cl- • 2C2H6OS) + C2H6OS = (Cl- • 3C2H6OS)

Quantity Value Units Method Reference Comment
Δr62.3kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr125.J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

(Chlorine anion • 3Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Chlorine anion • 4Dimethyl Sulfoxide)

By formula: (Cl- • 3C2H6OS) + C2H6OS = (Cl- • 4C2H6OS)

Quantity Value Units Method Reference Comment
Δr61.1kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr156.J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

(Chlorine anion • 4Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Chlorine anion • 5Dimethyl Sulfoxide)

By formula: (Cl- • 4C2H6OS) + C2H6OS = (Cl- • 5C2H6OS)

Quantity Value Units Method Reference Comment
Δr57.7kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr168.J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

(Iodide • 2Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Iodide • 3Dimethyl Sulfoxide)

By formula: (I- • 2C2H6OS) + C2H6OS = (I- • 3C2H6OS)

Quantity Value Units Method Reference Comment
Δr48.5kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr105.J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

(Bromine anion • 2Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Bromine anion • 3Dimethyl Sulfoxide)

By formula: (Br- • 2C2H6OS) + C2H6OS = (Br- • 3C2H6OS)

Quantity Value Units Method Reference Comment
Δr56.9kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr115.J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

(Chlorine anion • Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Chlorine anion • 2Dimethyl Sulfoxide)

By formula: (Cl- • C2H6OS) + C2H6OS = (Cl- • 2C2H6OS)

Quantity Value Units Method Reference Comment
Δr66.9kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr99.6J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

(Iodide • Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Iodide • 2Dimethyl Sulfoxide)

By formula: (I- • C2H6OS) + C2H6OS = (I- • 2C2H6OS)

Quantity Value Units Method Reference Comment
Δr53.6kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr92.0J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

(Bromine anion • Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Bromine anion • 2Dimethyl Sulfoxide)

By formula: (Br- • C2H6OS) + C2H6OS = (Br- • 2C2H6OS)

Quantity Value Units Method Reference Comment
Δr60.7kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr93.7J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

Sodium ion (1+) + Dimethyl Sulfoxide = (Sodium ion (1+) • Dimethyl Sulfoxide)

By formula: Na+ + C2H6OS = (Na+ • C2H6OS)

Quantity Value Units Method Reference Comment
Δr130.kJ/molCIDKlassen, Anderson, et al., 1996RCD

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
130.298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

(Potassium ion (1+) • 2Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Potassium ion (1+) • 3Dimethyl Sulfoxide)

By formula: (K+ • 2C2H6OS) + C2H6OS = (K+ • 3C2H6OS)

Quantity Value Units Method Reference Comment
Δr84.kJ/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr120.J/mol*KHPMSSunner, 1984gas phase; M

(Potassium ion (1+) • 3Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Potassium ion (1+) • 4Dimethyl Sulfoxide)

By formula: (K+ • 3C2H6OS) + C2H6OS = (K+ • 4C2H6OS)

Quantity Value Units Method Reference Comment
Δr67.kJ/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KHPMSSunner, 1984gas phase; M

(Potassium ion (1+) • Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Potassium ion (1+) • 2Dimethyl Sulfoxide)

By formula: (K+ • C2H6OS) + C2H6OS = (K+ • 2C2H6OS)

Quantity Value Units Method Reference Comment
Δr120.kJ/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr140.J/mol*KHPMSSunner, 1984gas phase; M

C7H4N2O2- + Dimethyl Sulfoxide = (C7H4N2O2- • Dimethyl Sulfoxide)

By formula: C7H4N2O2- + C2H6OS = (C7H4N2O2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr66.9kJ/molPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr141.J/mol*KPHPMSChowdhury, 1987gas phase; M

C6H4NO3- + Dimethyl Sulfoxide = (C6H4NO3- • Dimethyl Sulfoxide)

By formula: C6H4NO3- + C2H6OS = (C6H4NO3- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr31. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C6H4NO3- + Dimethyl Sulfoxide = (C6H4NO3- • Dimethyl Sulfoxide)

By formula: C6H4NO3- + C2H6OS = (C6H4NO3- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr25. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

1,4-Naphthalenedione anion + Dimethyl Sulfoxide = C12H12O3S-

By formula: C10H6O2- + C2H6OS = C12H12O3S-

Quantity Value Units Method Reference Comment
Δr24. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

F6S- + Dimethyl Sulfoxide = (F6S- • Dimethyl Sulfoxide)

By formula: F6S- + C2H6OS = (F6S- • C2H6OS)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
30.308.PHPMSKnighton, Zook, et al., 1990gas phase; M

Perfluoro(methylcyclohexane) anion + Dimethyl Sulfoxide = (Perfluoro(methylcyclohexane) anion • Dimethyl Sulfoxide)

By formula: C7F14- + C2H6OS = (C7F14- • C2H6OS)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
32.308.PHPMSKnighton, Zook, et al., 1990gas phase; M

1,4-Naphthalenedione anion + Dimethyl Sulfoxide = (1,4-Naphthalenedione anion • Dimethyl Sulfoxide)

By formula: C10H6O2- + C2H6OS = (C10H6O2- • C2H6OS)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
24.343.PHPMSChowdhury, 1987gas phase; M

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C2H6OS+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)884.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity853.7kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.013921 ± 0.000087N/AHammer, Diri, et al., 2003B
0.007416EFDSuess, Liu, et al., 2003B

Ionization energy determinations

IE (eV) Method Reference Comment
9.10PEKimura, Katsumata, et al., 1981LLK
9.08 ± 0.09EIPotzinger, Stracke, et al., 1975LLK
9.20 ± 0.05EIDistefano, Foffani, et al., 1971LLK
9.20EIDistefano, Foffani, et al., 1971, 2LLK
9.9 ± 0.1EIBlais, Cottin, et al., 1970RDSH
9.10PEKimura, Katsumata, et al., 1981Vertical value; LLK
9.01PEBock and Solouki, 1974Vertical value; LLK
9.11PEMines, Thomas, et al., 1972Vertical value; LLK
9.01PEBock and Solouki, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+22.9 ± 0.5?EIBlais, Cottin, et al., 1970RDSH
CH+19.4 ± 0.5?EIBlais, Cottin, et al., 1970RDSH
CHO+15. ± 0.1?EIBlais, Cottin, et al., 1970RDSH
CHS+10.69 ± 0.13?PIPECOZha, Nishimura, et al., 1988LL
CHS+11.6 ± 0.2H2O+CH3EIPotzinger, Stracke, et al., 1975LLK
CHS+14.8 ± 0.1?EIBlais, Cottin, et al., 1970RDSH
CH2+15.5 ± 0.3?EIBlais, Cottin, et al., 1970RDSH
CH2O+10.9 ± 0.5?EIBlais, Cottin, et al., 1970RDSH
CH2OS+11.8 ± 0.1CH4EIBlais, Cottin, et al., 1970RDSH
CH2S+11.5 ± 0.1?EIBlais, Cottin, et al., 1970RDSH
CH3+14.85 ± 0.14?PIPECOZha, Nishimura, et al., 1988LL
CH3+13.3 ± 0.3CH3SOEIPotzinger, Stracke, et al., 1975LLK
CH3+16.3 ± 0.1?EIBlais, Cottin, et al., 1970RDSH
CH3O+13.82 ± 0.16?PIPECOZha, Nishimura, et al., 1988LL
CH3O+12.2?EIAmos, Gillis, et al., 1969RDSH
CH3OS+10.64 ± 0.07CH3PIPECOZha, Nishimura, et al., 1988LL
CH3OS+10.91 ± 0.16CH3EIPotzinger, Stracke, et al., 1975LLK
CH3OS+11.9 ± 0.1CH3EIBlais, Cottin, et al., 1970RDSH
CH3S+10.69 ± 0.13?PIPECOZha, Nishimura, et al., 1988LL
CH3S+11.4?EIAmos, Gillis, et al., 1969RDSH
CS+11.3 ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2HS+10.9 ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2H2+12. ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2H2S+13. ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2H3+14.39 ± 0.14?PIPECOZha, Nishimura, et al., 1988LL
C2H3+15.9 ± 0.1?EIBlais, Cottin, et al., 1970RDSH
C2H3S+11. ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2H4+13.7 ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2H4OS+10.9 ± 0.5H2EIBlais, Cottin, et al., 1970RDSH
C2H4S+11.1 ± 0.5?EIBlais, Cottin, et al., 1970RDSH
C2H5+13.82 ± 0.16?PIPECOZha, Nishimura, et al., 1988LL
C2H5O+14. ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2H5OS+12.6 ± 0.1HEIBlais, Cottin, et al., 1970RDSH
C2H5S+10.55 ± 0.07?PIPECOZha, Nishimura, et al., 1988LL
C2H5S+10.5?EIAmos, Gillis, et al., 1969RDSH
C2H6S+11.6 ± 0.1OEIBlais, Cottin, et al., 1970RDSH
H+23. ± 0.5?EIBlais, Cottin, et al., 1970RDSH
HSO+11.1 ± 0.3?EIBlais, Cottin, et al., 1970RDSH
HS+15.8 ± 0.1?EIBlais, Cottin, et al., 1970RDSH
H2O+14.39 ± 0.14?PIPECOZha, Nishimura, et al., 1988LL
H2SO+10.9 ± 0.3?EIBlais, Cottin, et al., 1970RDSH
H2S+11. ± 0.1?EIBlais, Cottin, et al., 1970RDSH
H3SO+10.9 ± 0.5?EIBlais, Cottin, et al., 1970RDSH
H3S+13.59 ± 0.07?PIPECOZha, Nishimura, et al., 1988LL
O+15.8 ± 0.5?EIBlais, Cottin, et al., 1970RDSH
SO+11. ± 0.1?EIBlais, Cottin, et al., 1970RDSH
S+10.8 ± 0.3?EIBlais, Cottin, et al., 1970RDSH

De-protonation reactions

C2H5OS- + Hydrogen cation = Dimethyl Sulfoxide

By formula: C2H5OS- + H+ = C2H6OS

Quantity Value Units Method Reference Comment
Δr1563. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1566. ± 9.6kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr1533. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1536. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, 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
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Bromine anion + Dimethyl Sulfoxide = (Bromine anion • Dimethyl Sulfoxide)

By formula: Br- + C2H6OS = (Br- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr72.38kJ/molTDAsMagnera, Caldwell, et al., 1984gas phase; B,M
Δr72.0kJ/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr89.5J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr45.61kJ/molTDAsMagnera, Caldwell, et al., 1984gas phase; B

(Bromine anion • Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Bromine anion • 2Dimethyl Sulfoxide)

By formula: (Br- • C2H6OS) + C2H6OS = (Br- • 2C2H6OS)

Quantity Value Units Method Reference Comment
Δr60.7kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr93.7J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

(Bromine anion • 2Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Bromine anion • 3Dimethyl Sulfoxide)

By formula: (Br- • 2C2H6OS) + C2H6OS = (Br- • 3C2H6OS)

Quantity Value Units Method Reference Comment
Δr56.9kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr115.J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

C2H7OS+ + Dimethyl Sulfoxide = (C2H7OS+ • Dimethyl Sulfoxide)

By formula: C2H7OS+ + C2H6OS = (C2H7OS+ • C2H6OS)

Quantity Value Units Method Reference Comment
Δr129.kJ/molPHPMSLau, Saluja, et al., 1980gas phase; switching reaction((CH3)2SOH+)(CH3)2CO; M
Quantity Value Units Method Reference Comment
Δr95.8J/mol*KPHPMSLau, Saluja, et al., 1980gas phase; switching reaction((CH3)2SOH+)(CH3)2CO; M

(C2H7OS+ • Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (C2H7OS+ • 2Dimethyl Sulfoxide)

By formula: (C2H7OS+ • C2H6OS) + C2H6OS = (C2H7OS+ • 2C2H6OS)

Quantity Value Units Method Reference Comment
Δr89.1kJ/molPHPMSLau, Saluja, et al., 1980gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr45.6J/mol*KPHPMSLau, Saluja, et al., 1980gas phase; Entropy change is questionable; M

C4H2O3- + Dimethyl Sulfoxide = (C4H2O3- • Dimethyl Sulfoxide)

By formula: C4H2O3- + C2H6OS = (C4H2O3- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr28. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.343.PHPMSChowdhury, 1987gas phase; M

C6F4O2- + Dimethyl Sulfoxide = (C6F4O2- • Dimethyl Sulfoxide)

By formula: C6F4O2- + C2H6OS = (C6F4O2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr19. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
19.343.PHPMSChowdhury, 1987gas phase; M

C6H4ClNO2- + Dimethyl Sulfoxide = (C6H4ClNO2- • Dimethyl Sulfoxide)

By formula: C6H4ClNO2- + C2H6OS = (C6H4ClNO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr31. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
31.343.PHPMSChowdhury, 1987gas phase; M

C6H4ClNO2- + Dimethyl Sulfoxide = (C6H4ClNO2- • Dimethyl Sulfoxide)

By formula: C6H4ClNO2- + C2H6OS = (C6H4ClNO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr33. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.343.PHPMSChowdhury, 1987gas phase; M

C6H4ClNO2- + Dimethyl Sulfoxide = (C6H4ClNO2- • Dimethyl Sulfoxide)

By formula: C6H4ClNO2- + C2H6OS = (C6H4ClNO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr32. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
32.343.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Dimethyl Sulfoxide = (C6H4FNO2- • Dimethyl Sulfoxide)

By formula: C6H4FNO2- + C2H6OS = (C6H4FNO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr33. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.343.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Dimethyl Sulfoxide = (C6H4FNO2- • Dimethyl Sulfoxide)

By formula: C6H4FNO2- + C2H6OS = (C6H4FNO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr34. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
34.343.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Dimethyl Sulfoxide = (C6H4FNO2- • Dimethyl Sulfoxide)

By formula: C6H4FNO2- + C2H6OS = (C6H4FNO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr33. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.343.PHPMSChowdhury, 1987gas phase; M

C6H4NO3- + Dimethyl Sulfoxide = (C6H4NO3- • Dimethyl Sulfoxide)

By formula: C6H4NO3- + C2H6OS = (C6H4NO3- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr25. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C6H4NO3- + Dimethyl Sulfoxide = (C6H4NO3- • Dimethyl Sulfoxide)

By formula: C6H4NO3- + C2H6OS = (C6H4NO3- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr31. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C6H4N2O4- + Dimethyl Sulfoxide = (C6H4N2O4- • Dimethyl Sulfoxide)

By formula: C6H4N2O4- + C2H6OS = (C6H4N2O4- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr18. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Dimethyl Sulfoxide = (C6H4N2O4- • Dimethyl Sulfoxide)

By formula: C6H4N2O4- + C2H6OS = (C6H4N2O4- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr26. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
26.343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Dimethyl Sulfoxide = (C6H4N2O4- • Dimethyl Sulfoxide)

By formula: C6H4N2O4- + C2H6OS = (C6H4N2O4- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr25. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
25.343.PHPMSChowdhury, 1987gas phase; M

p-Benzoquinone anion + Dimethyl Sulfoxide = (p-Benzoquinone anion • Dimethyl Sulfoxide)

By formula: C6H4O2- + C2H6OS = (C6H4O2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr26. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
26.343.PHPMSChowdhury, 1987gas phase; M

C6H5NO2- + Dimethyl Sulfoxide = (C6H5NO2- • Dimethyl Sulfoxide)

By formula: C6H5NO2- + C2H6OS = (C6H5NO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr70.29 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr39.7 ± 0.84kJ/molTDAsSieck, 1985gas phase; B
Δr36. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Perfluoro(methylcyclohexane) anion + Dimethyl Sulfoxide = (Perfluoro(methylcyclohexane) anion • Dimethyl Sulfoxide)

By formula: C7F14- + C2H6OS = (C7F14- • C2H6OS)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
32.308.PHPMSKnighton, Zook, et al., 1990gas phase; M

C7H4F3NO2- + Dimethyl Sulfoxide = (C7H4F3NO2- • Dimethyl Sulfoxide)

By formula: C7H4F3NO2- + C2H6OS = (C7H4F3NO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr61.1 ± 8.4kJ/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Δr93.3J/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr30. ± 8.4kJ/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H4N2O2- + Dimethyl Sulfoxide = (C7H4N2O2- • Dimethyl Sulfoxide)

By formula: C7H4N2O2- + C2H6OS = (C7H4N2O2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr28. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.343.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Dimethyl Sulfoxide = (C7H4N2O2- • Dimethyl Sulfoxide)

By formula: C7H4N2O2- + C2H6OS = (C7H4N2O2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr28. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.343.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Dimethyl Sulfoxide = (C7H4N2O2- • Dimethyl Sulfoxide)

By formula: C7H4N2O2- + C2H6OS = (C7H4N2O2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr66.9kJ/molPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr141.J/mol*KPHPMSChowdhury, 1987gas phase; M

C7H7NO2- + Dimethyl Sulfoxide = (C7H7NO2- • Dimethyl Sulfoxide)

By formula: C7H7NO2- + C2H6OS = (C7H7NO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr36. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
36.343.PHPMSChowdhury, 1987gas phase; M

C7H7NO3- + Dimethyl Sulfoxide = (C7H7NO3- • Dimethyl Sulfoxide)

By formula: C7H7NO3- + C2H6OS = (C7H7NO3- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr68.2 ± 8.4kJ/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Δr94.1J/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr35. ± 8.4kJ/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

1,4-Naphthalenedione anion + Dimethyl Sulfoxide = (1,4-Naphthalenedione anion • Dimethyl Sulfoxide)

By formula: C10H6O2- + C2H6OS = (C10H6O2- • C2H6OS)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
24.343.PHPMSChowdhury, 1987gas phase; M

1,4-Naphthalenedione anion + Dimethyl Sulfoxide = C12H12O3S-

By formula: C10H6O2- + C2H6OS = C12H12O3S-

Quantity Value Units Method Reference Comment
Δr24. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Chlorine anion + Dimethyl Sulfoxide = (Chlorine anion • Dimethyl Sulfoxide)

By formula: Cl- + C2H6OS = (Cl- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr77.82kJ/molTDAsMagnera, Caldwell, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr85.4J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr52.30kJ/molTDAsMagnera, Caldwell, et al., 1984gas phase; B

(Chlorine anion • Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Chlorine anion • 2Dimethyl Sulfoxide)

By formula: (Cl- • C2H6OS) + C2H6OS = (Cl- • 2C2H6OS)

Quantity Value Units Method Reference Comment
Δr66.9kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr99.6J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

(Chlorine anion • 2Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Chlorine anion • 3Dimethyl Sulfoxide)

By formula: (Cl- • 2C2H6OS) + C2H6OS = (Cl- • 3C2H6OS)

Quantity Value Units Method Reference Comment
Δr62.3kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr125.J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

(Chlorine anion • 3Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Chlorine anion • 4Dimethyl Sulfoxide)

By formula: (Cl- • 3C2H6OS) + C2H6OS = (Cl- • 4C2H6OS)

Quantity Value Units Method Reference Comment
Δr61.1kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr156.J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

(Chlorine anion • 4Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Chlorine anion • 5Dimethyl Sulfoxide)

By formula: (Cl- • 4C2H6OS) + C2H6OS = (Cl- • 5C2H6OS)

Quantity Value Units Method Reference Comment
Δr57.7kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr168.J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

F6S- + Dimethyl Sulfoxide = (F6S- • Dimethyl Sulfoxide)

By formula: F6S- + C2H6OS = (F6S- • C2H6OS)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
30.308.PHPMSKnighton, Zook, et al., 1990gas phase; M

Iodide + Dimethyl Sulfoxide = (Iodide • Dimethyl Sulfoxide)

By formula: I- + C2H6OS = (I- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr65.69kJ/molTDAsMagnera, Caldwell, et al., 1984gas phase; B,M
Δr67.kJ/molPHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr90.8J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr38.5kJ/molTDAsMagnera, Caldwell, et al., 1984gas phase; B

(Iodide • Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Iodide • 2Dimethyl Sulfoxide)

By formula: (I- • C2H6OS) + C2H6OS = (I- • 2C2H6OS)

Quantity Value Units Method Reference Comment
Δr53.6kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr92.0J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

(Iodide • 2Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Iodide • 3Dimethyl Sulfoxide)

By formula: (I- • 2C2H6OS) + C2H6OS = (I- • 3C2H6OS)

Quantity Value Units Method Reference Comment
Δr48.5kJ/molPHPMSMagnera, Caldwell, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr105.J/mol*KPHPMSMagnera, Caldwell, et al., 1984gas phase; M

Potassium ion (1+) + Dimethyl Sulfoxide = (Potassium ion (1+) • Dimethyl Sulfoxide)

By formula: K+ + C2H6OS = (K+ • C2H6OS)

Quantity Value Units Method Reference Comment
Δr130.kJ/molCIDTKlassen, Anderson, et al., 1996RCD
Δr150.kJ/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KHPMSSunner, 1984gas phase; M

(Potassium ion (1+) • Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Potassium ion (1+) • 2Dimethyl Sulfoxide)

By formula: (K+ • C2H6OS) + C2H6OS = (K+ • 2C2H6OS)

Quantity Value Units Method Reference Comment
Δr120.kJ/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr140.J/mol*KHPMSSunner, 1984gas phase; M

(Potassium ion (1+) • 2Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Potassium ion (1+) • 3Dimethyl Sulfoxide)

By formula: (K+ • 2C2H6OS) + C2H6OS = (K+ • 3C2H6OS)

Quantity Value Units Method Reference Comment
Δr84.kJ/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr120.J/mol*KHPMSSunner, 1984gas phase; M

(Potassium ion (1+) • 3Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Potassium ion (1+) • 4Dimethyl Sulfoxide)

By formula: (K+ • 3C2H6OS) + C2H6OS = (K+ • 4C2H6OS)

Quantity Value Units Method Reference Comment
Δr67.kJ/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KHPMSSunner, 1984gas phase; M

(Potassium ion (1+) • 4Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Potassium ion (1+) • 5Dimethyl Sulfoxide)

By formula: (K+ • 4C2H6OS) + C2H6OS = (K+ • 5C2H6OS)

Quantity Value Units Method Reference Comment
Δr66.1kJ/molHPMSSunner, 1984gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr150.J/mol*KHPMSSunner, 1984gas phase; Entropy change is questionable; M

(Potassium ion (1+) • 5Dimethyl Sulfoxide) + Dimethyl Sulfoxide = (Potassium ion (1+) • 6Dimethyl Sulfoxide)

By formula: (K+ • 5C2H6OS) + C2H6OS = (K+ • 6C2H6OS)

Quantity Value Units Method Reference Comment
Δr64.9kJ/molHPMSSunner, 1984gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr170.J/mol*KHPMSSunner, 1984gas phase; Entropy change is questionable; M

Nitrogen oxide anion + Dimethyl Sulfoxide = (Nitrogen oxide anion • Dimethyl Sulfoxide)

By formula: NO2- + C2H6OS = (NO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr80.3 ± 4.2kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/ASieck, 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr36. ± 4.2kJ/molTDAsSieck, 1985gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
36.420.PHPMSSieck, 1985gas phase; Entropy change calculated or estimated; M

Sodium ion (1+) + Dimethyl Sulfoxide = (Sodium ion (1+) • Dimethyl Sulfoxide)

By formula: Na+ + C2H6OS = (Na+ • C2H6OS)

Quantity Value Units Method Reference Comment
Δr130.kJ/molCIDKlassen, Anderson, et al., 1996RCD

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
130.298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryMethyl Silicone100.780.Huber, Kenndler, et al., 1993H2; Column length: 5. m; Phase thickness: 2.65 μm
CapillaryMethyl Silicone120.784.Huber, Kenndler, et al., 1993H2; Column length: 5. m; Phase thickness: 2.65 μm
CapillaryMethyl Silicone80.777.Huber, Kenndler, et al., 1993H2; Column length: 5. m; Phase thickness: 2.65 μm

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M130.1569.Huber, Kenndler, et al., 1993Column length: 10. m; Phase thickness: 1.33 μm
CapillaryPEG-20M150.1584.Huber, Kenndler, et al., 1993Column length: 10. m; Phase thickness: 1.33 μm
CapillaryPEG-20M130.1569.1Huber, Kenndler, et al., 1993Column length: 10. m; Phase thickness: 1.33 μm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-1782.Hancock and Peters, 1991He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
CapillaryDB-5820.1Hancock and Peters, 1991He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
CapillaryDB-5820.5Hancock and Peters, 1991He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
CapillaryDB-5829.2Hancock and Peters, 1991He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
CapillaryDB-1786.6D'Agostino and Provost, 198515. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 300. C @ 5. min

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryStabilwax1560.Cros, Lignot, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryStabilwax1560.Cros, Vandanjon, et al., 200360. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillarySupelcowax-101563.Chung, 199960. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax1582.3D'Agostino and Provost, 198515. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 250. C @ 5. min

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101790.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C
CapillaryHP-1772.Valette, Fernandez, et al., 200350. m/0.2 mm/0.5 μm, He, 2. K/min, 220. C @ 40. min; Tstart: 60. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Sil5 CB MS780.Iraqi, Vermeulen, et al., 200550. m/0.32 mm/1.2 μm; Program: 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)
CapillarySPB-5827.Begnaud, Pérès, et al., 200360. m/0.32 mm/1. μm; Program: not specified
CapillarySPB-1784.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillarySPB-1784.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.787.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1603.Puvipirom and Chaisei, 201215. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C
CapillaryHP-Innowax1582.Soria, Sanz, et al., 200850. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min
CapillaryStabilwax1560.Cros, Vandanjon, et al., 200760. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryRTX-Wax1569.Prososki, Etzel, et al., 200730. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
CapillaryHP-Innowax1596.Soria, Gonzalez, et al., 200450. m/0.2 mm/0.2 μm, He, 45. C @ 2. min, 4. K/min, 190. C @ 50. min
CapillaryStabilwax1560.Cros, Vandanjon, et al., 2003, 260. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryDB-Wax1553.Wei, Mura, et al., 200160. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-Wax1595.Iwatsuki, Mizota, et al., 19994. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySOLGel-Wax1576.Johanningsmeier and McFeeters, 201130. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)
CapillarySOLGel-Wax1582.Johanningsmeier and McFeeters, 201130. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-FFAP1553.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C
CapillaryDB-FFAP1549.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryCP-Wax 52 CB1550.Kaack and Christensen, 200850. m/0.25 mm/0.29 μm, Helium; Program: 33 0C (1 min) 2 0C/min -> 130 0C 10 0C/min -> 220 0C
CapillaryDB-Wax1579.Kim. J.H., Ahn, et al., 200460. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C
CapillaryCarbowax 20M1554.Vinogradov, 2004Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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Klassen, J.S.; Anderson, S.G.; Blades, A.T.; Kebarle, P., Reaction Enthalpies for M+L = M+ + L, Where M+ = Na+ and K+ and L = Acetamide, N-Methylacetamide, N,N-Dimethylacetamide, Glycine, and Glycylglycine, from Determinations of the Collision-Induced Dissociation Thresholds, J. Phys. Chem., 1996, 100, 33, 14218, https://doi.org/10.1021/jp9608382 . [all data]

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Prososki, R.A.; Etzel, M.R.; Rankin, S.A., Solvent type affects the number, distribution, and relative quantities of volatile compounds found in sweet whey powder, J. Dairy Sci., 2007, 90, 2, 523-531, https://doi.org/10.3168/jds.S0022-0302(07)71535-7 . [all data]

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Soria, A.C.; Gonzalez, M.; de Lorenzo, C.; Martinez-Castro, I.; Sanza, J., Characterization of artisanal honeys from Madrid (Central Spain) on the basis of their melissopalynological, physicochemical and volatile composition data, Food Chem., 2004, 85, 1, 121-130, https://doi.org/10.1016/j.foodchem.2003.06.012 . [all data]

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Notes

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