Dimethyl Sulfoxide
- Formula: C2H6OS
- Molecular weight: 78.133
- IUPAC Standard InChIKey: IAZDPXIOMUYVGZ-UHFFFAOYSA-N
- CAS Registry Number: 67-68-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: DMSO; Methane, sulfinylbis-; Methyl sulfoxide; Demsodrox; Dimexide; Dipirartril-tropico; Dolicur; Dromisol; Durasorb; DMS 70; DMS 90; Hyadur; Infiltrina; Somipront; Sulfinylbismethane; SQ 9453; Dimethyl sulphoxide; (CH3)2SO; A 10846; Deltan; Demasorb; Demavet; Demeso; Dermasorb; Doligur; Domoso; Gamasol 90; M 176; Methylsulfinylmethane; Rimso 50; Syntexan; NSC-763; Topsym; Dimethyl sulfur oxide; Herpid; Kemsol; Sclerosol; Sulfoxide, dimethyl; Methane, 1,1'-sulfinylbis-; DMSO (methyl sulfoxide); Sulphinylbis methane
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 |
---|---|---|---|---|---|
ΔfH°gas | -150.5 ± 1.5 | kJ/mol | Ccr | Masuda, Nagano, et al., 1994 | H2SO4 (1:115 H2O) |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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- + =
By formula: C2H5OS- + H+ = C2H6OS
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1563. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 1566. ± 9.6 | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1533. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1536. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
By formula: NO2- + C2H6OS = (NO2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 80.3 ± 4.2 | kJ/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 36. ± 4.2 | kJ/mol | TDAs | Sieck, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
36. | 420. | PHPMS | Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: C6H5NO2- + C2H6OS = (C6H5NO2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 70.29 ± 0.42 | kJ/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 39.7 ± 0.84 | kJ/mol | TDAs | Sieck, 1985 | gas phase; B |
ΔrG° | 36. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C7H7NO3- + C2H6OS = (C7H7NO3- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.2 ± 8.4 | kJ/mol | N/A | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 94.1 | J/mol*K | PHPMS | Chowdhury, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 35. ± 8.4 | kJ/mol | TDAs | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: Br- + C2H6OS = (Br- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.38 | kJ/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B,M |
ΔrH° | 72.0 | kJ/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 89.5 | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 45.61 | kJ/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B |
By formula: I- + C2H6OS = (I- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65.69 | kJ/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B,M |
ΔrH° | 67. | kJ/mol | PHPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 90.8 | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 38.5 | kJ/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B |
C7H4F3NO2- + = (C7H4F3NO2- • )
By formula: C7H4F3NO2- + C2H6OS = (C7H4F3NO2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.1 ± 8.4 | kJ/mol | N/A | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.3 | J/mol*K | PHPMS | Chowdhury, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 30. ± 8.4 | kJ/mol | TDAs | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: Cl- + C2H6OS = (Cl- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.82 | kJ/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 85.4 | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 52.30 | kJ/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B |
By formula: C2H7OS+ + C2H6OS = (C2H7OS+ • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 129. | kJ/mol | PHPMS | Lau, Saluja, et al., 1980 | gas phase; switching reaction((CH3)2SOH+)(CH3)2CO; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.8 | J/mol*K | PHPMS | Lau, Saluja, et al., 1980 | gas phase; switching reaction((CH3)2SOH+)(CH3)2CO; M |
(C2H7OS+ • ) + = (C2H7OS+ • 2)
By formula: (C2H7OS+ • C2H6OS) + C2H6OS = (C2H7OS+ • 2C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 89.1 | kJ/mol | PHPMS | Lau, Saluja, et al., 1980 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 45.6 | J/mol*K | PHPMS | Lau, Saluja, et al., 1980 | gas phase; Entropy change is questionable; M |
By formula: (K+ • 4C2H6OS) + C2H6OS = (K+ • 5C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.1 | kJ/mol | HPMS | Sunner, 1984 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 150. | J/mol*K | HPMS | Sunner, 1984 | gas phase; Entropy change is questionable; M |
By formula: (K+ • 5C2H6OS) + C2H6OS = (K+ • 6C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64.9 | kJ/mol | HPMS | Sunner, 1984 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 170. | J/mol*K | HPMS | Sunner, 1984 | gas phase; Entropy change is questionable; M |
By formula: C6H4FNO2- + C2H6OS = (C6H4FNO2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 33. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
33. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4FNO2- + C2H6OS = (C6H4FNO2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 34. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
34. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H4ClNO2- + = (C6H4ClNO2- • )
By formula: C6H4ClNO2- + C2H6OS = (C6H4ClNO2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 31. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4FNO2- + C2H6OS = (C6H4FNO2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 33. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
33. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H4ClNO2- + = (C6H4ClNO2- • )
By formula: C6H4ClNO2- + C2H6OS = (C6H4ClNO2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 33. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
33. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H4ClNO2- + = (C6H4ClNO2- • )
By formula: C6H4ClNO2- + C2H6OS = (C6H4ClNO2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 32. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
32. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4N2O4- + C2H6OS = (C6H4N2O4- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 18. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
18. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4N2O4- + C2H6OS = (C6H4N2O4- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 26. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4N2O4- + C2H6OS = (C6H4N2O4- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 25. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
25. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C7H7NO2- + C2H6OS = (C7H7NO2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 36. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
36. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6F4O2- + C2H6OS = (C6F4O2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 19. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4O2- + C2H6OS = (C6H4O2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 26. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C7H4N2O2- + C2H6OS = (C7H4N2O2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 28. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: K+ + C2H6OS = (K+ • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 130. | kJ/mol | CIDT | Klassen, Anderson, et al., 1996 | RCD |
ΔrH° | 150. | kJ/mol | HPMS | Sunner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | HPMS | Sunner, 1984 | gas phase; M |
By formula: C4H2O3- + C2H6OS = (C4H2O3- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 28. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C7H4N2O2- + C2H6OS = (C7H4N2O2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 28. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: 2C2H6S + O2 = 2C2H6OS
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -277.7 ± 0.84 | kJ/mol | Cm | Douglas, 1946 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -278.3 ± 0.8 kJ/mol; At 291°K; ALS |
By formula: C2H6O2S = C2H6OS + 0.5O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 243.3 ± 0.84 | kJ/mol | Cm | Douglas, 1946 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 246.9 ± 0.8 kJ/mol; At 291°K; ALS |
By formula: (Cl- • 2C2H6OS) + C2H6OS = (Cl- • 3C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.3 | kJ/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 125. | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
By formula: (Cl- • 3C2H6OS) + C2H6OS = (Cl- • 4C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.1 | kJ/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 156. | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
By formula: (Cl- • 4C2H6OS) + C2H6OS = (Cl- • 5C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.7 | kJ/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 168. | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
By formula: (I- • 2C2H6OS) + C2H6OS = (I- • 3C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.5 | kJ/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
By formula: (Br- • 2C2H6OS) + C2H6OS = (Br- • 3C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 | kJ/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 115. | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
By formula: (Cl- • C2H6OS) + C2H6OS = (Cl- • 2C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.9 | kJ/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 99.6 | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
By formula: (I- • C2H6OS) + C2H6OS = (I- • 2C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 53.6 | kJ/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.0 | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
By formula: (Br- • C2H6OS) + C2H6OS = (Br- • 2C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.7 | kJ/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.7 | J/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
By formula: Na+ + C2H6OS = (Na+ • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 130. | kJ/mol | CID | Klassen, Anderson, et al., 1996 | RCD |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
130. | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: (K+ • 2C2H6OS) + C2H6OS = (K+ • 3C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 84. | kJ/mol | HPMS | Sunner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | HPMS | Sunner, 1984 | gas phase; M |
By formula: (K+ • 3C2H6OS) + C2H6OS = (K+ • 4C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 67. | kJ/mol | HPMS | Sunner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | HPMS | Sunner, 1984 | gas phase; M |
By formula: (K+ • C2H6OS) + C2H6OS = (K+ • 2C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 120. | kJ/mol | HPMS | Sunner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 140. | J/mol*K | HPMS | Sunner, 1984 | gas phase; M |
By formula: C7H4N2O2- + C2H6OS = (C7H4N2O2- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.9 | kJ/mol | PHPMS | Chowdhury, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 141. | J/mol*K | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4NO3- + C2H6OS = (C6H4NO3- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 31. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C6H4NO3- + C2H6OS = (C6H4NO3- • C2H6OS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 25. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
+ = C12H12O3S-
By formula: C10H6O2- + C2H6OS = C12H12O3S-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 24. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: F6S- + C2H6OS = (F6S- • C2H6OS)
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
30. | 308. | PHPMS | Knighton, Zook, et al., 1990 | gas phase; M |
By formula: C7F14- + C2H6OS = (C7F14- • C2H6OS)
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
32. | 308. | PHPMS | Knighton, Zook, et al., 1990 | gas phase; M |
By formula: C10H6O2- + C2H6OS = (C10H6O2- • C2H6OS)
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
24. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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) | 884.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 853.7 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.013921 ± 0.000087 | N/A | Hammer, Diri, et al., 2003 | B |
0.007416 | EFD | Suess, Liu, et al., 2003 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.10 | PE | Kimura, Katsumata, et al., 1981 | LLK |
9.08 ± 0.09 | EI | Potzinger, Stracke, et al., 1975 | LLK |
9.20 ± 0.05 | EI | Distefano, Foffani, et al., 1971 | LLK |
9.20 | EI | Distefano, Foffani, et al., 1971, 2 | LLK |
9.9 ± 0.1 | EI | Blais, Cottin, et al., 1970 | RDSH |
9.10 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
9.01 | PE | Bock and Solouki, 1974 | Vertical value; LLK |
9.11 | PE | Mines, Thomas, et al., 1972 | Vertical value; LLK |
9.01 | PE | Bock and Solouki, 1972 | Vertical value; LLK |
Appearance energy determinations
De-protonation reactions
C2H5OS- + =
By formula: C2H5OS- + H+ = C2H6OS
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1563. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 1566. ± 9.6 | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1533. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1536. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 118614 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Masuda, Nagano, et al., 1994
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Ion - Solvent Molecule Interactions in the Gas Phase. The Potassium Ion and Me2SO, DMA, DMF, and Acetone,
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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,
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Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G.,
An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions,
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Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
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Dipole-bound negative ions: Collisional destruction and blackbody-radiation-induced photodetachment,
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Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy EA Electron affinity T Temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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