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:
Other data available:
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, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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	-35.97 ± 0.36	kcal/mol	Ccr	Masuda, Nagano, et al., 1994	H2SO4 (1:115 H2O)

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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°	373.5 ± 2.1	kcal/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	374.3 ± 2.3	kcal/mol	G+TS	Cumming and Kebarle, 1978	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	366.4 ± 2.0	kcal/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	367.2 ± 2.0	kcal/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°	19.2 ± 1.0	kcal/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Sieck, 1985	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.7 ± 1.0	kcal/mol	TDAs	Sieck, 1985	gas phase; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.7	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°	16.80 ± 0.10	kcal/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.5	cal/mol*K	PHPMS	Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.50 ± 0.20	kcal/mol	TDAs	Sieck, 1985	gas phase; B
Δ_rG°	8.6 ± 1.6	kcal/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°	16.3 ± 2.0	kcal/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°	22.5	cal/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.4 ± 2.0	kcal/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°	17.30	kcal/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B,M
Δ_rH°	17.2	kcal/mol	HPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.4	cal/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.90	kcal/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°	15.70	kcal/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B,M
Δ_rH°	16.	kcal/mol	PHPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.7	cal/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.20	kcal/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°	14.6 ± 2.0	kcal/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°	22.3	cal/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.1 ± 2.0	kcal/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°	18.60	kcal/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.4	cal/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	12.50	kcal/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°	30.8	kcal/mol	PHPMS	Lau, Saluja, et al., 1980	gas phase; switching reaction((CH3)2SOH+)(CH3)2CO; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.9	cal/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°	21.3	kcal/mol	PHPMS	Lau, Saluja, et al., 1980	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	10.9	cal/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°	15.8	kcal/mol	HPMS	Sunner, 1984	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	37.	cal/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°	15.5	kcal/mol	HPMS	Sunner, 1984	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	40.	cal/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°	7.9 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.9	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°	8.2 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.2	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°	7.5 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.5	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°	7.8 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.8	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°	7.8 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.8	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°	7.6 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.6	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°	4.4 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.4	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°	6.2 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.2	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°	5.9 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
5.9	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°	8.6 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.6	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°	4.5 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

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

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.2 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.2	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°	6.8 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

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

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	31.1	kcal/mol	CIDT	Klassen, Anderson, et al., 1996	RCD
Δ_rH°	35.	kcal/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	31.	cal/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°	6.7 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.7	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°	6.6 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

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

2 + = 2 Dimethyl Sulfoxide

By formula: 2C₂H₆S + O₂ = 2C₂H₆OS

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-66.36 ± 0.20	kcal/mol	Cm	Douglas, 1946	liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -66.5 ± 0.2 kcal/mol; At 291°K; ALS

= Dimethyl Sulfoxide + 0.5

By formula: C₂H₆O₂S = C₂H₆OS + 0.5O₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	58.16 ± 0.20	kcal/mol	Cm	Douglas, 1946	liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 59.0 ± 0.2 kcal/mol; At 291°K; ALS

( • 2 Dimethyl Sulfoxide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.9	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.8	cal/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°	14.6	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	37.2	cal/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°	13.8	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	40.2	cal/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°	11.6	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.1	cal/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°	13.6	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.5	cal/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°	16.0	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.8	cal/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°	12.8	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.0	cal/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°	14.5	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.4	cal/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°	31.1	kcal/mol	CID	Klassen, Anderson, et al., 1996	RCD

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
31.0	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°	20.	kcal/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.	cal/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°	16.	kcal/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	30.	cal/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°	29.	kcal/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	34.	cal/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°	16.0	kcal/mol	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	33.6	cal/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°	7.4 ± 1.6	kcal/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°	5.9 ± 1.6	kcal/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°	5.7 ± 1.6	kcal/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° (kcal/mol)	T (K)	Method	Reference	Comment
7.2	308.	PHPMS	Knighton, Zook, et al., 1990	gas phase; M

+ Dimethyl Sulfoxide = ( • )

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

Free energy of reaction

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

+ Dimethyl Sulfoxide = ( • )

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

Free energy of reaction

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

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, 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)	211.4	kcal/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	204.0	kcal/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°	373.5 ± 2.1	kcal/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	374.3 ± 2.3	kcal/mol	G+TS	Cumming and Kebarle, 1978	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	366.4 ± 2.0	kcal/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	367.2 ± 2.0	kcal/mol	IMRE	Cumming and Kebarle, 1978	gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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°	17.30	kcal/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B,M
Δ_rH°	17.2	kcal/mol	HPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.4	cal/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.90	kcal/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°	14.5	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.4	cal/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°	13.6	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.5	cal/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°	30.8	kcal/mol	PHPMS	Lau, Saluja, et al., 1980	gas phase; switching reaction((CH3)2SOH+)(CH3)2CO; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.9	cal/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°	21.3	kcal/mol	PHPMS	Lau, Saluja, et al., 1980	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	10.9	cal/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°	6.7 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.7	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°	4.5 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.5	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°	7.5 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.5	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°	7.8 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.8	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°	7.6 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.6	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°	7.9 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.9	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°	8.2 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.2	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°	7.8 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.8	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°	5.9 ± 1.6	kcal/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°	7.4 ± 1.6	kcal/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°	4.4 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.4	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°	6.2 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.2	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°	5.9 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

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

+ Dimethyl Sulfoxide = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.2 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.2	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°	16.80 ± 0.10	kcal/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.5	cal/mol*K	PHPMS	Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.50 ± 0.20	kcal/mol	TDAs	Sieck, 1985	gas phase; B
Δ_rG°	8.6 ± 1.6	kcal/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° (kcal/mol)	T (K)	Method	Reference	Comment
7.7	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°	14.6 ± 2.0	kcal/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°	22.3	cal/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.1 ± 2.0	kcal/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°	6.6 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.6	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°	6.8 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.8	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°	16.0	kcal/mol	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	33.6	cal/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°	8.6 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.6	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°	16.3 ± 2.0	kcal/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°	22.5	cal/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.4 ± 2.0	kcal/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° (kcal/mol)	T (K)	Method	Reference	Comment
5.7	343.	PHPMS	Chowdhury, 1987	gas phase; M

+ Dimethyl Sulfoxide = C₁₂H₁₂O₃S^-

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.7 ± 1.6	kcal/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°	18.60	kcal/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.4	cal/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	12.50	kcal/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°	16.0	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.8	cal/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°	14.9	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.8	cal/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°	14.6	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	37.2	cal/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°	13.8	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	40.2	cal/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° (kcal/mol)	T (K)	Method	Reference	Comment
7.2	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°	15.70	kcal/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B,M
Δ_rH°	16.	kcal/mol	PHPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.7	cal/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.20	kcal/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°	12.8	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.0	cal/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°	11.6	kcal/mol	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.1	cal/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°	31.1	kcal/mol	CIDT	Klassen, Anderson, et al., 1996	RCD
Δ_rH°	35.	kcal/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	31.	cal/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°	29.	kcal/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	34.	cal/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°	20.	kcal/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.	cal/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°	16.	kcal/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	30.	cal/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°	15.8	kcal/mol	HPMS	Sunner, 1984	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	37.	cal/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°	15.5	kcal/mol	HPMS	Sunner, 1984	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	40.	cal/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°	19.2 ± 1.0	kcal/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Sieck, 1985	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.7 ± 1.0	kcal/mol	TDAs	Sieck, 1985	gas phase; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.7	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°	31.1	kcal/mol	CID	Klassen, Anderson, et al., 1996	RCD

Free energy of reaction

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

Gas Chromatography

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

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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
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

View large format table.

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

View large format table.

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, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, Notes

Masuda, Nagano, et al., 1994
Masuda, N.; Nagano, Y.; Sakiyama, M., Standard molar enthalpy of formation of (CH₃)₂SO, dimethylsulfoxide, by combustion calorimetry, J. Chem. Thermodyn., 1994, 26, 971-975. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]

Sieck, 1985
Sieck, L.W., Thermochemistry of Solvation of NO₂^- and C₆H₅NO₂^- by Polar Molecules in the Vapor Phase. Comparison with Cl^- and Variation with Ligand Structure., J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049 . [all data]

Chowdhury, Grimsrud, et al., 1987
Chowdhury, S.; Grimsrud, E.P.; Kebarle, P., Bonding of Charged Delocalized Anions to Protic and Dipolar Aprotic Solvent Molecules, J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021 . [all data]

Chowdhury, 1987
Chowdhury, S. Grimsrud, Bonding of Charge Delocalized Anions to Protic and Dipolar Aprotic Solvents, J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021 . [all data]

Magnera, Caldwell, et al., 1984
Magnera, T.F.; Caldwell, G.; Sumner, J.; Ikuta, S.; Kebarle, P., Solvation of the halide anions in dimethyl sulfoxide. Factors involved in enhanced reactivity of negative ions in dipolar aprotic solvents, J. Am. Chem. Soc., 1984, 106, 6140. [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]

Lau, Saluja, et al., 1980
Lau, Y.K.; Saluja, P.P.S.; Kebarle, P., The Proton in Dimethyl Sulfoxide and Acetone. Results from Gas - Phase Ion Equilibria Involving (Me2SO)nH+ and (Me2CO)nH+, J. Am. Chem. Soc., 1980, 102, 25, 7429, https://doi.org/10.1021/ja00545a004 . [all data]

Sunner, 1984
Sunner, J. Kebarle, Ion - Solvent Molecule Interactions in the Gas Phase. The Potassium Ion and Me2SO, DMA, DMF, and Acetone, J. Am. Chem. Soc., 1984, 106, 21, 6135, https://doi.org/10.1021/ja00333a002 . [all data]

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

Douglas, 1946
Douglas, T.B., Heats of formation of liquid methyl sulfoxide and crystalline methyl sulfone at 18°, J. Am. Chem. Soc., 1946, 68, 1072-1076. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

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Notes

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

Symbols used in this document:

AE	Appearance energy
EA	Electron affinity
T	Temperature
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
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

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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