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:
- Dimethylsulfoxide-D6
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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Information on this page:
Data at other public NIST sites:
- Gas Phase Kinetics Database
- X-ray Photoelectron Spectroscopy Database, version 5.0
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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), Gas Chromatography, References, Notes

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

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_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), Gas Chromatography, References, Notes

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
Δ_fH°_liquid	-203.4 ± 1.4	kJ/mol	Ccr	Masuda, Nagano, et al., 1994	H2SO4 (1:115 H2O); ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_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

C_p,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), Gas Chromatography, References, Notes

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
T_boil	463. ± 1.	K	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	291.65	K	N/A	Lindberg and Stenholm, 1966	Uncertainty assigned by TRC = 0.4 K; TRC
T_fus	291.57	K	N/A	Douglas, 1948	Uncertainty assigned by TRC = 0.2 K; TRC
T_fus	291.65	K	N/A	Douglas, 1946	Uncertainty assigned by TRC = 0.2 K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_triple	291.59	K	N/A	Clever and Westrum, 1970, 2	Uncertainty assigned by TRC = 0.1 K; TRC
T_triple	291.67	K	N/A	Clever and Westrum, 1970, 2	Uncertainty assigned by TRC = 0.06 K; TRC
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	52.9 ± 0.4	kJ/mol	V	Douglas, 1948, 2	ALS
Δ_vapH°	52.9 ± 0.4	kJ/mol	RG	Douglas, 1948, 3	Based on data from 293. to 323. K.; AC

Enthalpy of vaporization

Δ_vapH (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

Δ_fusH (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

Δ_fusS (J/mol*K)	Temperature (K)	Reference	Comment
49.26	291.67	Clever and Westrum, 1970	DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

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), Gas Chromatography, References, Notes

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^- + = Dimethyl Sulfoxide

By formula: C₂H₅OS^- + H⁺ = C₂H₆OS

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	1566. ± 9.6	kJ/mol	G+TS	Cumming and Kebarle, 1978	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1533. ± 8.4	kJ/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	1536. ± 8.4	kJ/mol	IMRE	Cumming and Kebarle, 1978	gas phase; B

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	80.3 ± 4.2	kJ/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Sieck, 1985	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	36. ± 4.2	kJ/mol	TDAs	Sieck, 1985	gas phase; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
36.	420.	PHPMS	Sieck, 1985	gas phase; Entropy change calculated or estimated; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	70.29 ± 0.42	kJ/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	PHPMS	Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	39.7 ± 0.84	kJ/mol	TDAs	Sieck, 1985	gas phase; B
Δ_rG°	36. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rS°	94.1	J/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	35. ± 8.4	kJ/mol	TDAs	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	72.38	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B,M
Δ_rH°	72.0	kJ/mol	HPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	89.5	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	45.61	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	65.69	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B,M
Δ_rH°	67.	kJ/mol	PHPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	90.8	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	38.5	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rS°	93.3	J/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	30. ± 8.4	kJ/mol	TDAs	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	77.82	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	85.4	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	52.30	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B

C₂H₇OS⁺ + Dimethyl Sulfoxide = (C₂H₇OS⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	129.	kJ/mol	PHPMS	Lau, Saluja, et al., 1980	gas phase; switching reaction((CH3)2SOH+)(CH3)2CO; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	95.8	J/mol*K	PHPMS	Lau, Saluja, et al., 1980	gas phase; switching reaction((CH3)2SOH+)(CH3)2CO; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	89.1	kJ/mol	PHPMS	Lau, Saluja, et al., 1980	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	45.6	J/mol*K	PHPMS	Lau, Saluja, et al., 1980	gas phase; Entropy change is questionable; M

( • 4 Dimethyl Sulfoxide ) + = ( • 5)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.1	kJ/mol	HPMS	Sunner, 1984	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	150.	J/mol*K	HPMS	Sunner, 1984	gas phase; Entropy change is questionable; M

( • 5 Dimethyl Sulfoxide ) + = ( • 6)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	64.9	kJ/mol	HPMS	Sunner, 1984	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	170.	J/mol*K	HPMS	Sunner, 1984	gas phase; Entropy change is questionable; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	33. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
33.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	34. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
34.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	31. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
31.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	33. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
33.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	33. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
33.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	32. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
32.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
18.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
26.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	25. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
25.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	36. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
36.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	19. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
19.	343.	PHPMS	Chowdhury, 1987	gas phase; M

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
26.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	28. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
28.	343.	PHPMS	Chowdhury, 1987	gas phase; M

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	130.	kJ/mol	CIDT	Klassen, Anderson, et al., 1996	RCD
Δ_rH°	150.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	28. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
28.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	28. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
28.	343.	PHPMS	Chowdhury, 1987	gas phase; M

2 + = 2 Dimethyl Sulfoxide

By formula: 2C₂H₆S + O₂ = 2C₂H₆OS

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-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

= Dimethyl Sulfoxide + 0.5

By formula: C₂H₆O₂S = C₂H₆OS + 0.5O₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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 Dimethyl Sulfoxide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.3	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	125.	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

( • 3 Dimethyl Sulfoxide ) + = ( • 4)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	61.1	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	156.	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

( • 4 Dimethyl Sulfoxide ) + = ( • 5)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	57.7	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	168.	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

( • 2 Dimethyl Sulfoxide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.5	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	105.	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

( • 2 Dimethyl Sulfoxide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56.9	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	115.	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

( • Dimethyl Sulfoxide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.9	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	99.6	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

( • Dimethyl Sulfoxide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	53.6	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	92.0	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

( • Dimethyl Sulfoxide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.7	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	93.7	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	130.	kJ/mol	CID	Klassen, Anderson, et al., 1996	RCD

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
130.	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD

( • 2 Dimethyl Sulfoxide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	84.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

( • 3 Dimethyl Sulfoxide ) + = ( • 4)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	67.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

( • Dimethyl Sulfoxide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	120.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	140.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.9	kJ/mol	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	141.	J/mol*K	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	31. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	25. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

+ Dimethyl Sulfoxide = C₁₂H₁₂O₃S^-

By formula: C₁₀H₆O₂^- + C₂H₆OS = C₁₂H₁₂O₃S^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	24. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

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

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

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
30.	308.	PHPMS	Knighton, Zook, et al., 1990	gas phase; M

+ Dimethyl Sulfoxide = ( • )

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

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
32.	308.	PHPMS	Knighton, Zook, et al., 1990	gas phase; M

+ Dimethyl Sulfoxide = ( • )

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

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
24.	343.	PHPMS	Chowdhury, 1987	gas phase; M

Henry's Law data

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Data compiled by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/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(k_H))/d(1/T) = Temperature dependence constant (K)

k°_H (mol/(kg*bar))	d(ln(k_H))/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), Gas Chromatography, References, Notes

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

Ion	AE (eV)	Other Products	Method	Reference	Comment
C⁺	22.9 ± 0.5	?	EI	Blais, Cottin, et al., 1970	RDSH
CH⁺	19.4 ± 0.5	?	EI	Blais, Cottin, et al., 1970	RDSH
CHO⁺	15. ± 0.1	?	EI	Blais, Cottin, et al., 1970	RDSH
CHS⁺	10.69 ± 0.13	?	PIPECO	Zha, Nishimura, et al., 1988	LL
CHS⁺	11.6 ± 0.2	H₂O+CH₃	EI	Potzinger, Stracke, et al., 1975	LLK
CHS⁺	14.8 ± 0.1	?	EI	Blais, Cottin, et al., 1970	RDSH
CH₂⁺	15.5 ± 0.3	?	EI	Blais, Cottin, et al., 1970	RDSH
CH₂O⁺	10.9 ± 0.5	?	EI	Blais, Cottin, et al., 1970	RDSH
CH₂OS⁺	11.8 ± 0.1	CH₄	EI	Blais, Cottin, et al., 1970	RDSH
CH₂S⁺	11.5 ± 0.1	?	EI	Blais, Cottin, et al., 1970	RDSH
CH₃⁺	14.85 ± 0.14	?	PIPECO	Zha, Nishimura, et al., 1988	LL
CH₃⁺	13.3 ± 0.3	CH₃SO	EI	Potzinger, Stracke, et al., 1975	LLK
CH₃⁺	16.3 ± 0.1	?	EI	Blais, Cottin, et al., 1970	RDSH
CH₃O⁺	13.82 ± 0.16	?	PIPECO	Zha, Nishimura, et al., 1988	LL
CH₃O⁺	12.2	?	EI	Amos, Gillis, et al., 1969	RDSH
CH₃OS⁺	10.64 ± 0.07	CH₃	PIPECO	Zha, Nishimura, et al., 1988	LL
CH₃OS⁺	10.91 ± 0.16	CH₃	EI	Potzinger, Stracke, et al., 1975	LLK
CH₃OS⁺	11.9 ± 0.1	CH₃	EI	Blais, Cottin, et al., 1970	RDSH
CH₃S⁺	10.69 ± 0.13	?	PIPECO	Zha, Nishimura, et al., 1988	LL
CH₃S⁺	11.4	?	EI	Amos, Gillis, et al., 1969	RDSH
CS⁺	11.3 ± 0.3	?	EI	Blais, Cottin, et al., 1970	RDSH
C₂HS⁺	10.9 ± 0.3	?	EI	Blais, Cottin, et al., 1970	RDSH
C₂H₂⁺	12. ± 0.3	?	EI	Blais, Cottin, et al., 1970	RDSH
C₂H₂S⁺	13. ± 0.3	?	EI	Blais, Cottin, et al., 1970	RDSH
C₂H₃⁺	14.39 ± 0.14	?	PIPECO	Zha, Nishimura, et al., 1988	LL
C₂H₃⁺	15.9 ± 0.1	?	EI	Blais, Cottin, et al., 1970	RDSH
C₂H₃S⁺	11. ± 0.3	?	EI	Blais, Cottin, et al., 1970	RDSH
C₂H₄⁺	13.7 ± 0.3	?	EI	Blais, Cottin, et al., 1970	RDSH
C₂H₄OS⁺	10.9 ± 0.5	H₂	EI	Blais, Cottin, et al., 1970	RDSH
C₂H₄S⁺	11.1 ± 0.5	?	EI	Blais, Cottin, et al., 1970	RDSH
C₂H₅⁺	13.82 ± 0.16	?	PIPECO	Zha, Nishimura, et al., 1988	LL
C₂H₅O⁺	14. ± 0.3	?	EI	Blais, Cottin, et al., 1970	RDSH
C₂H₅OS⁺	12.6 ± 0.1	H	EI	Blais, Cottin, et al., 1970	RDSH
C₂H₅S⁺	10.55 ± 0.07	?	PIPECO	Zha, Nishimura, et al., 1988	LL
C₂H₅S⁺	10.5	?	EI	Amos, Gillis, et al., 1969	RDSH
C₂H₆S⁺	11.6 ± 0.1	O	EI	Blais, Cottin, et al., 1970	RDSH
H⁺	23. ± 0.5	?	EI	Blais, Cottin, et al., 1970	RDSH
HSO⁺	11.1 ± 0.3	?	EI	Blais, Cottin, et al., 1970	RDSH
HS⁺	15.8 ± 0.1	?	EI	Blais, Cottin, et al., 1970	RDSH
H₂O⁺	14.39 ± 0.14	?	PIPECO	Zha, Nishimura, et al., 1988	LL
H₂SO⁺	10.9 ± 0.3	?	EI	Blais, Cottin, et al., 1970	RDSH
H₂S⁺	11. ± 0.1	?	EI	Blais, Cottin, et al., 1970	RDSH
H₃SO⁺	10.9 ± 0.5	?	EI	Blais, Cottin, et al., 1970	RDSH
H₃S⁺	13.59 ± 0.07	?	PIPECO	Zha, Nishimura, et al., 1988	LL
O⁺	15.8 ± 0.5	?	EI	Blais, Cottin, et al., 1970	RDSH
SO⁺	11. ± 0.1	?	EI	Blais, Cottin, et al., 1970	RDSH
S⁺	10.8 ± 0.3	?	EI	Blais, Cottin, et al., 1970	RDSH

De-protonation reactions

C₂H₅OS^- + = Dimethyl Sulfoxide

By formula: C₂H₅OS^- + H⁺ = C₂H₆OS

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	1566. ± 9.6	kJ/mol	G+TS	Cumming and Kebarle, 1978	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1533. ± 8.4	kJ/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	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), Gas Chromatography, References, Notes

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

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	72.38	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B,M
Δ_rH°	72.0	kJ/mol	HPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	89.5	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	45.61	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B

( • Dimethyl Sulfoxide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.7	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	93.7	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

( • 2 Dimethyl Sulfoxide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56.9	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	115.	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

C₂H₇OS⁺ + Dimethyl Sulfoxide = (C₂H₇OS⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	129.	kJ/mol	PHPMS	Lau, Saluja, et al., 1980	gas phase; switching reaction((CH3)2SOH+)(CH3)2CO; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	95.8	J/mol*K	PHPMS	Lau, Saluja, et al., 1980	gas phase; switching reaction((CH3)2SOH+)(CH3)2CO; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	89.1	kJ/mol	PHPMS	Lau, Saluja, et al., 1980	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	45.6	J/mol*K	PHPMS	Lau, Saluja, et al., 1980	gas phase; Entropy change is questionable; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	28. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
28.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	19. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
19.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	31. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
31.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	33. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
33.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	32. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
32.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	33. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
33.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	34. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
34.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	33. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
33.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	25. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	31. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
18.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
26.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	25. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
25.	343.	PHPMS	Chowdhury, 1987	gas phase; M

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
26.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	70.29 ± 0.42	kJ/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	PHPMS	Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	39.7 ± 0.84	kJ/mol	TDAs	Sieck, 1985	gas phase; B
Δ_rG°	36. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

+ Dimethyl Sulfoxide = ( • )

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

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
32.	308.	PHPMS	Knighton, Zook, et al., 1990	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rS°	93.3	J/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	30. ± 8.4	kJ/mol	TDAs	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	28. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
28.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	28. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
28.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.9	kJ/mol	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	141.	J/mol*K	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	36. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
36.	343.	PHPMS	Chowdhury, 1987	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rS°	94.1	J/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	35. ± 8.4	kJ/mol	TDAs	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

+ Dimethyl Sulfoxide = ( • )

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

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
24.	343.	PHPMS	Chowdhury, 1987	gas phase; M

+ Dimethyl Sulfoxide = C₁₂H₁₂O₃S^-

By formula: C₁₀H₆O₂^- + C₂H₆OS = C₁₂H₁₂O₃S^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	24. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	77.82	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	85.4	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	52.30	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B

( • Dimethyl Sulfoxide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.9	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	99.6	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

( • 2 Dimethyl Sulfoxide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.3	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	125.	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

( • 3 Dimethyl Sulfoxide ) + = ( • 4)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	61.1	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	156.	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

( • 4 Dimethyl Sulfoxide ) + = ( • 5)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	57.7	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	168.	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

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

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

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
30.	308.	PHPMS	Knighton, Zook, et al., 1990	gas phase; M

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	65.69	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B,M
Δ_rH°	67.	kJ/mol	PHPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	90.8	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	38.5	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B

( • Dimethyl Sulfoxide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	53.6	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	92.0	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

( • 2 Dimethyl Sulfoxide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.5	kJ/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	105.	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	130.	kJ/mol	CIDT	Klassen, Anderson, et al., 1996	RCD
Δ_rH°	150.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

( • Dimethyl Sulfoxide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	120.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	140.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

( • 2 Dimethyl Sulfoxide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	84.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

( • 3 Dimethyl Sulfoxide ) + = ( • 4)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	67.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

( • 4 Dimethyl Sulfoxide ) + = ( • 5)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.1	kJ/mol	HPMS	Sunner, 1984	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	150.	J/mol*K	HPMS	Sunner, 1984	gas phase; Entropy change is questionable; M

( • 5 Dimethyl Sulfoxide ) + = ( • 6)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	64.9	kJ/mol	HPMS	Sunner, 1984	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	170.	J/mol*K	HPMS	Sunner, 1984	gas phase; Entropy change is questionable; M

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	80.3 ± 4.2	kJ/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Sieck, 1985	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	36. ± 4.2	kJ/mol	TDAs	Sieck, 1985	gas phase; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
36.	420.	PHPMS	Sieck, 1985	gas phase; Entropy change calculated or estimated; M

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	130.	kJ/mol	CID	Klassen, Anderson, et al., 1996	RCD

Free energy of reaction

Δ_rG° (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), Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

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, Gas Chromatography, References, Notes

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

Spectrum

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Additional Data

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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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.

Gas Chromatography

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), References, Notes

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

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Methyl Silicone	100.	780.	Huber, Kenndler, et al., 1993	H2; Column length: 5. m; Phase thickness: 2.65 μm
Capillary	Methyl Silicone	120.	784.	Huber, Kenndler, et al., 1993	H2; Column length: 5. m; Phase thickness: 2.65 μm
Capillary	Methyl Silicone	80.	777.	Huber, Kenndler, et al., 1993	H2; Column length: 5. m; Phase thickness: 2.65 μm

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	PEG-20M	130.	1569.	Huber, Kenndler, et al., 1993	Column length: 10. m; Phase thickness: 1.33 μm
Capillary	PEG-20M	150.	1584.	Huber, Kenndler, et al., 1993	Column length: 10. m; Phase thickness: 1.33 μm
Capillary	PEG-20M	130.	1569.1	Huber, Kenndler, et al., 1993	Column length: 10. m; Phase thickness: 1.33 μm

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	782.	Hancock and Peters, 1991	He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
Capillary	DB-5	820.1	Hancock and Peters, 1991	He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
Capillary	DB-5	820.5	Hancock and Peters, 1991	He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
Capillary	DB-5	829.2	Hancock and Peters, 1991	He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
Capillary	DB-1	786.6	D'Agostino and Provost, 1985	15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 300. C @ 5. min

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

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Column type	Active phase	I	Reference	Comment
Capillary	Stabilwax	1560.	Cros, Lignot, et al., 2005	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
Capillary	Stabilwax	1560.	Cros, Vandanjon, et al., 2003	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
Capillary	Supelcowax-10	1563.	Chung, 1999	60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
Capillary	DB-Wax	1582.3	D'Agostino and Provost, 1985	15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 250. C @ 5. min

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	OV-101	790.	Zenkevich, 2005	25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; T_start: 50. C; T_end: 250. C
Capillary	HP-1	772.	Valette, Fernandez, et al., 2003	50. m/0.2 mm/0.5 μm, He, 2. K/min, 220. C @ 40. min; T_start: 60. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	CP-Sil5 CB MS	780.	Iraqi, Vermeulen, et al., 2005	50. m/0.32 mm/1.2 μm; Program: 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)
Capillary	SPB-5	827.	Begnaud, Pérès, et al., 2003	60. m/0.32 mm/1. μm; Program: not specified
Capillary	SPB-1	784.	Flanagan, Streete, et al., 1997	60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
Capillary	SPB-1	784.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	787.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-Innowax	1603.	Puvipirom and Chaisei, 2012	15. m/0.32 mm/0.50 μm, Helium, 3. K/min; T_start: 40. C; T_end: 250. C
Capillary	HP-Innowax	1582.	Soria, Sanz, et al., 2008	50. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min
Capillary	Stabilwax	1560.	Cros, Vandanjon, et al., 2007	60. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
Capillary	RTX-Wax	1569.	Prososki, Etzel, et al., 2007	30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
Capillary	HP-Innowax	1596.	Soria, Gonzalez, et al., 2004	50. m/0.2 mm/0.2 μm, He, 45. C @ 2. min, 4. K/min, 190. C @ 50. min
Capillary	Stabilwax	1560.	Cros, Vandanjon, et al., 2003, 2	60. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
Capillary	DB-Wax	1553.	Wei, Mura, et al., 2001	60. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 40. C; T_end: 200. C
Capillary	DB-Wax	1595.	Iwatsuki, Mizota, et al., 1999	4. K/min; Column length: 30. m; Column diameter: 0.53 mm; T_start: 60. C; T_end: 210. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SOLGel-Wax	1576.	Johanningsmeier and McFeeters, 2011	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)
Capillary	SOLGel-Wax	1582.	Johanningsmeier and McFeeters, 2011	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-FFAP	1553.	Mebazaa, Mahmoudi, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C
Capillary	DB-FFAP	1549.	Mebazaa, Mahmoudi, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	CP-Wax 52 CB	1550.	Kaack and Christensen, 2008	50. m/0.25 mm/0.29 μm, Helium; Program: 33 0C (1 min) 2 0C/min -> 130 0C 10 0C/min -> 220 0C
Capillary	DB-Wax	1579.	Kim. J.H., Ahn, et al., 2004	60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C
Capillary	Carbowax 20M	1554.	Vinogradov, 2004	Program: not specified

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), Gas Chromatography, Notes

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Notes

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), Gas Chromatography, References

Symbols used in this document:

AE	Appearance energy
C_p,liquid	Constant pressure heat capacity of liquid
EA	Electron affinity
S°_liquid	Entropy of liquid at standard conditions
T	Temperature
T_boil	Boiling point
T_fus	Fusion (melting) point
T_triple	Triple point temperature
d(ln(k_H))/d(1/T)	Temperature dependence parameter for Henry's Law constant
k°_H	Henry's Law constant at 298.15K
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_fusS	Entropy of fusion
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Dimethyl Sulfoxide

Data at NIST subscription sites:

Gas phase thermochemistry data

Condensed phase thermochemistry data

Constant pressure heat capacity of liquid

Phase change data

Enthalpy of vaporization

Antoine Equation Parameters

Enthalpy of fusion

Entropy of fusion

Reaction thermochemistry data

Individual Reactions

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Henry's Law data

Henry's Law constant (water solution)

Gas phase ion energetics data

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

Ion clustering data

Clustering reactions

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

IR Spectrum

Mass spectrum (electron ionization)

Spectrum

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Additional Data

Gas Chromatography

Kovats' RI, non-polar column, isothermal

Kovats' RI, polar column, isothermal

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

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

Normal alkane RI, non-polar column, temperature ramp

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

Normal alkane RI, polar column, temperature ramp

Normal alkane RI, polar column, custom temperature program

References

Notes