Dimethyl Sulfoxide
- Formula: C2H6OS
- Molecular weight: 78.133
- IUPAC Standard InChI: InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
- 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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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) |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -203.4 ± 1.4 | kJ/mol | Ccr | Masuda, Nagano, et al., 1994 | H2SO4 (1:115 H2O); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -2037.3 ± 1.3 | kJ/mol | Ccr | Masuda, Nagano, et al., 1994 | H2SO4 (1:115 H2O); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 188.78 | J/mol*K | N/A | Clever and Westrum, 1970 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 149.39 | 298.15 | Grolier, Roux-Desgranges, et al., 1993 | DH |
| 148.28 | 298.15 | Barta, Kooner, et al., 1989 | DH |
| 153.6 | 298.15 | Rodante and Marrosu, 1988 | DH |
| 153.2 | 298.15 | Lankford and Criss, 1987 | DH |
| 155.9 | 298.15 | de Visser and Somsen, 1979 | DH |
| 155.9 | 298.15 | De Visser, Heuvelsland, et al., 1978 | DH |
| 153.18 | 298.15 | Clever and Westrum, 1970 | T = 5 to 350 K.; DH |
| 149.0 | 298.15 | Kenttmaa and Lindberg, 1960 | T = 298, 343 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 463. ± 1. | K | AVG | N/A | Average of 6 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 291.65 | K | N/A | Lindberg and Stenholm, 1966 | Uncertainty assigned by TRC = 0.4 K; TRC |
| Tfus | 291.57 | K | N/A | Douglas, 1948 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Tfus | 291.65 | K | N/A | Douglas, 1946 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Ttriple | 291.59 | K | N/A | Clever and Westrum, 1970, 2 | Uncertainty assigned by TRC = 0.1 K; TRC |
| Ttriple | 291.67 | K | N/A | Clever and Westrum, 1970, 2 | Uncertainty assigned by TRC = 0.06 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 52.9 ± 0.4 | kJ/mol | V | Douglas, 1948, 2 | ALS |
| ΔvapH° | 52.9 ± 0.4 | kJ/mol | RG | Douglas, 1948, 3 | Based on data from 293. to 323. K.; AC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 48.1 | 368. | TGA | Al-Najjar and Al-Sammerrai, 2007 | Based on data from 353. to 383. K.; AC |
| 48.6 | 392. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 377. to 483. K.; AC |
| 51.7 | 320. | A | Stephenson and Malanowski, 1987 | Based on data from 305. to 464. K.; AC |
| 52.3 | 308. | N/A | Sassa, Konishi, et al., 1974 | Based on data from 298. to 318. K.; AC |
| 50.6 | 340. | MM | Jakli and Alexander Van Hook, 1972 | Based on data from 325. to 442. K. See also Boublik, Fried, et al., 1984.; AC |
| 52.1 | 318. | N/A | NISHIMURA, NAKAYAMA, et al., 1972 | Based on data from 303. to 423. K.; AC |
| 52.5 | 308. | N/A | Meszaros, 1969 | Based on data from 293. to 323. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 325.49 to 442.09 | 4.49107 | 1807.002 | -60.995 | Jakli and van Hook, 1972 | Coefficents calculated by NIST from author's data. |
| 293. to 323. | 5.23039 | 2239.161 | -29.215 | Douglas, 1948, 3 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 14.368 | 291.67 | Clever and Westrum, 1970 | DH |
| 14.37 | 291.7 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
| ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 49.26 | 291.67 | Clever and Westrum, 1970 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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 |
( • 4
) +
= (
• 5
)
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 |
( • 5
) +
= (
• 6
)
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 |
2 +
= 2
By formula: 2C2H6S + O2 = 2C2H6OS
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -277.7 ± 0.84 | kJ/mol | Cm | Douglas, 1946, 2 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -278.3 ± 0.8 kJ/mol; At 291°K; ALS |
=
+ 0.5
By formula: C2H6O2S = C2H6OS + 0.5O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 243.3 ± 0.84 | kJ/mol | Cm | Douglas, 1946, 2 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 246.9 ± 0.8 kJ/mol; At 291°K; ALS |
( • 2
) +
= (
• 3
)
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 |
( • 3
) +
= (
• 4
)
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 |
( • 4
) +
= (
• 5
)
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 |
( • 2
) +
= (
• 3
)
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 |
( • 2
) +
= (
• 3
)
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 |
( •
) +
= (
• 2
)
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 |
( •
) +
= (
• 2
)
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 |
( •
) +
= (
• 2
)
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 |
( • 2
) +
= (
• 3
)
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 |
( • 3
) +
= (
• 4
)
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 |
( •
) +
= (
• 2
)
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 |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
| k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
|---|---|---|---|---|
| >50000. | C | N/A | ||
| 1400. | X | N/A | Value given here as quoted by missing citation. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, 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 |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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
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 |
( •
) +
= (
• 2
)
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 |
( • 2
) +
= (
• 3
)
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 |
( •
) +
= (
• 2
)
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 |
( • 2
) +
= (
• 3
)
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 |
( • 3
) +
= (
• 4
)
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 |
( • 4
) +
= (
• 5
)
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 |
( •
) +
= (
• 2
)
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 |
( • 2
) +
= (
• 3
)
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 |
( •
) +
= (
• 2
)
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 |
( • 2
) +
= (
• 3
)
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 |
( • 3
) +
= (
• 4
)
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 |
( • 4
) +
= (
• 5
)
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 |
( • 5
) +
= (
• 6
)
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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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: 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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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.
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Notes
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- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid EA Electron affinity S°liquid Entropy of liquid at standard conditions T Temperature Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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