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, Ion clustering data, IR Spectrum, 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, Ion clustering data, IR Spectrum, 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, Ion clustering data, IR Spectrum, 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 |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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
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: (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: (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: 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: 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: 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 |
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 |
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: 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 |
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: 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 |
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: 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: 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: 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: 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 |
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: 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: 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: 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: 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: 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: C10H6O2- + C2H6OS = (C10H6O2- • C2H6OS)
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
24. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
+ = 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: 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: (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: (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: 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: 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 |
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: (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: 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: (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: (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+ • 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: 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: 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 |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes
Data compiled by: Coblentz Society, Inc.
- LIQUID (NEAT); BECKMAN IR-7 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- LIQUID (NEAT); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 4000-1330 CM-1, 10% IN CS2 FOR 1330-600 CM-1); BECKMAN IR-7 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10.75% IN CCl4 FOR 3800-1300, 2.24% IN CS2 FOR 1300-620, AND 10.75% IN CCl4 FOR 620-250 CM-1) VERSUS SOLVENT; Not specified, most likely a grating or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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
Masuda, N.; Nagano, Y.; Sakiyama, M.,
Standard molar enthalpy of formation of (CH3)2SO, dimethylsulfoxide, by combustion calorimetry,
J. Chem. Thermodyn., 1994, 26, 971-975. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P.,
Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A),
Can. J. Chem., 1978, 56, 1. [all data]
Sieck, 1985
Sieck, L.W.,
Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure.,
J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049
. [all data]
Chowdhury, Grimsrud, et al., 1987
Chowdhury, S.; Grimsrud, E.P.; Kebarle, P.,
Bonding of Charged Delocalized Anions to Protic and Dipolar Aprotic Solvent Molecules,
J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021
. [all data]
Chowdhury, 1987
Chowdhury, S. Grimsrud,
Bonding of Charge Delocalized Anions to Protic and Dipolar Aprotic Solvents,
J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021
. [all data]
Magnera, Caldwell, et al., 1984
Magnera, T.F.; Caldwell, G.; Sumner, J.; Ikuta, S.; Kebarle, P.,
Solvation of the halide anions in dimethyl sulfoxide. Factors involved in enhanced reactivity of negative ions in dipolar aprotic solvents,
J. Am. Chem. Soc., 1984, 106, 6140. [all data]
Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G.,
Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions,
Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103
. [all data]
Lau, Saluja, et al., 1980
Lau, Y.K.; Saluja, P.P.S.; Kebarle, P.,
The Proton in Dimethyl Sulfoxide and Acetone. Results from Gas - Phase Ion Equilibria Involving (Me2SO)nH+ and (Me2CO)nH+,
J. Am. Chem. Soc., 1980, 102, 25, 7429, https://doi.org/10.1021/ja00545a004
. [all data]
Sunner, 1984
Sunner, J. Kebarle,
Ion - Solvent Molecule Interactions in the Gas Phase. The Potassium Ion and Me2SO, DMA, DMF, and Acetone,
J. Am. Chem. Soc., 1984, 106, 21, 6135, https://doi.org/10.1021/ja00333a002
. [all data]
Klassen, Anderson, et al., 1996
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]
Douglas, 1946
Douglas, T.B.,
Heats of formation of liquid methyl sulfoxide and crystalline methyl sulfone at 18°,
J. Am. Chem. Soc., 1946, 68, 1072-1076. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
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,
Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7
. [all data]
Knighton, Zook, et al., 1990
Knighton, W.B.; Zook, D.R.; Grimsrud, E.P.,
Cluster-Assisted Decomposition Reactions of the Molecular Anions of SF6 and C7F14,
J. Am. Soc. Mass Spectrom., 1990, 1, 5, 372, https://doi.org/10.1016/1044-0305(90)85017-G
. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Hammer, Diri, et al., 2003
Hammer, N.I.; Diri, K.; Jordan, K.D.; Desfrancois, C.; Compton, R.N.,
Dipole-bound anions of carbonyl, nitrile, and sulfoxide containing molecules,
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. [all data]
Suess, Liu, et al., 2003
Suess, L.; Liu, Y.; Parthasarathy, R.; Dunning, F.B.,
Dipole-bound negative ions: Collisional destruction and blackbody-radiation-induced photodetachment,
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. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Potzinger, Stracke, et al., 1975
Potzinger, P.; Stracke, H.-U.; Kupper, W.; Gollnick, K.,
Ionisierungs- und Auftrittspotentialmessungen an Dialkylsulfoxiden,
Z. Naturforsch. A:, 1975, 30, 340. [all data]
Distefano, Foffani, et al., 1971
Distefano, G.; Foffani, A.; Innorta, G.; Pignataro, S.,
Mass spectrometric study of transition metal complexes with ligands having nitrogen or sulphur as donor atom,
Adv. Mass Spectrom., 1971, 5, 696. [all data]
Distefano, Foffani, et al., 1971, 2
Distefano, G.; Foffani, A.; Innorta, G.; Pignataro, S.,
Electron impact ionization potentials of some manganese, chromium and tungsten organometallic derivatives,
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Blais, Cottin, et al., 1970
Blais, J.-C.; Cottin, M.; Gitton, B.,
Ionisation positive et negative dans le dimethylsulfoxyde en phase gazeuse,
J. Chim. Phys., 1970, 67, 1475. [all data]
Bock and Solouki, 1974
Bock, H.; Solouki, B.,
Photoelektronenspektren und molekuleigenschaften, XXXV. Sulfoxide X2SO - beispiele fur den nutzen von korrelations - diagrammen bei der diskussion von substituenteneffekten und von geometrischen storungen,
Chem. Ber., 1974, 107, 2299. [all data]
Mines, Thomas, et al., 1972
Mines, G.W.; Thomas, R.K.; Thompson, H.,
Photoelectron spectra of compounds containing thionyl and sulphuryl groups,
Proc. R. Soc. London A:, 1972, 329, 275. [all data]
Bock and Solouki, 1972
Bock, H.; Solouki, B.,
The sulfoxide bond,
Angew. Chem. Int. Ed. Engl., 1972, 11, 436. [all data]
Zha, Nishimura, et al., 1988
Zha, Q.; Nishimura, T.; Meisels, G.G.,
Unimolecular dissociation of energy-selected dimethyl sulfoxide,
Int. J. Mass Spectrom. Ion Processes, 1988, 83, 1. [all data]
Amos, Gillis, et al., 1969
Amos, D.; Gillis, R.G.; Occolowitz, J.L.; Pisani, J.F.,
The ions [CH3S]+, [C2H5S]+ and [CH3O]+ formed by electron-impact,
Org. Mass Spectrom., 1969, 2, 209. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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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