Dimethyl ether
- Formula: C2H6O
- Molecular weight: 46.0684
- IUPAC Standard InChIKey: LCGLNKUTAGEVQW-UHFFFAOYSA-N
- CAS Registry Number: 115-10-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Methane, oxybis-; Methyl ether; Methoxymethane; Wood ether; Oxybismethane; (CH3)2O; Ether, dimethyl; Ether, methyl; UN 1033; Dimethyl oxide; Dymel A; Dymel; Demeon D; DME; Methane, 1,1'-oxybis-
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Condensed phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 146.57 | J/mol*K | N/A | Kennedy, Sagenkahn, et al., 1941 |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
102.30 | 240. | Kennedy, Sagenkahn, et al., 1941 | T = 14 to 240 K. |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
RCD - Robert C. Dunbar
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
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.
Reactions 1 to 50
By formula: Li+ + C2H6O = (Li+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 165. ± 11. | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 165. | kJ/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
ΔrH° | 160. | kJ/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 131. | kJ/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
165. (+10.,-0.) | CID | More, Gledening, et al., 1996 | gas phase; guided ion beam CID; M |
By formula: C3H7O2+ + C2H6O = (C3H7O2+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 126. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 90.4 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C4H9O2+ + C2H6O = (C4H9O2+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 125. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 122. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 88.7 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: (Na+ • C2H6O) + C2H6O = (Na+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 85. ± 7. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
By formula: Na+ + C2H6O = (Na+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 100. ± 5.4 | kJ/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 91.6 ± 4.6 | kJ/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 92.0 ± 5.0 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 92.9 ± 5.0 | kJ/mol | CIDT | More, Ray, et al., 1997 | RCD |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
73.6 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
73.6 | 298. | CIDC | McMahon and Ohanessian, 2000 | RCD |
By formula: C10H10Fe+ + C2H6O = (C10H10Fe+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15. | 250. | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
By formula: (CH5O+ • 2CH4O) + C2H6O = (CH5O+ • C2H6O • 2CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.0 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
By formula: (CH5O+ • 3CH4O) + C2H6O = (CH5O+ • C2H6O • 3CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.3 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 129. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
By formula: (CH5O+ • CH4O) + C2H6O = (CH5O+ • C2H6O • CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 91.6 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
By formula: C2H7O+ + C2H6O = (C2H7O+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 134. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
ΔrH° | 128. | kJ/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 133. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
ΔrS° | 124. | J/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: K+ + C2H6O = (K+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.8 ± 4.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 92.9 | kJ/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
ΔrH° | 87.0 | kJ/mol | HPMS | Davidson and Kebarle, 1976, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 112. | J/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
ΔrS° | 104. | J/mol*K | HPMS | Davidson and Kebarle, 1976, 2 | gas phase; M |
By formula: CH5O+ + C2H6O = (CH5O+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 146. | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be ((CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be ((CH3)2OH+; M |
(C2H7O+ • • 2) + = (C2H7O+ • 2 • 2)
By formula: (C2H7O+ • C2H6O • 2H2O) + C2H6O = (C2H7O+ • 2C2H6O • 2H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.1 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 153. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
By formula: (C2H7O+ • C2H6O) + H2O = (C2H7O+ • H2O • C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.2 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 162. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
(C2H7O+ • • ) + = (C2H7O+ • 2 • )
By formula: (C2H7O+ • C2H6O • H2O) + C2H6O = (C2H7O+ • 2C2H6O • H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 70.3 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 111. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2 • ) + = (C2H7O+ • 3 • )
By formula: (C2H7O+ • 2C2H6O • H2O) + C2H6O = (C2H7O+ • 3C2H6O • H2O)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 90.8 | kJ/mol | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 174. | J/mol*K | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
(C2H7O+ • 2 • ) + = (C2H7O+ • 3 • )
By formula: (C2H7O+ • 2CH4O • C2H6O) + CH4O = (C2H7O+ • 3CH4O • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.0 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 111. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • • ) + = (C2H7O+ • 2 • )
By formula: (C2H7O+ • CH4O • C2H6O) + CH4O = (C2H7O+ • 2CH4O • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.2 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 128. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • • 2) + = (C2H7O+ • 2 • 2)
By formula: (C2H7O+ • H2O • 2C2H6O) + H2O = (C2H7O+ • 2H2O • 2C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.7 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 127. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • • 3) + = (C2H7O+ • 2 • 3)
By formula: (C2H7O+ • H2O • 3C2H6O) + H2O = (C2H7O+ • 2H2O • 3C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.7 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 127. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2 • ) + = (C2H7O+ • 3 • )
By formula: (C2H7O+ • 2H2O • C2H6O) + H2O = (C2H7O+ • 3H2O • C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.5 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 112. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2) + = (C2H7O+ • • 2)
By formula: (C2H7O+ • 2H2O) + C2H6O = (C2H7O+ • C2H6O • 2H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.6 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.4 | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 3) + = (C2H7O+ • • 3)
By formula: (C2H7O+ • 3H2O) + C2H6O = (C2H7O+ • C2H6O • 3H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 70.7 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 138. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • • ) + = (C2H7O+ • 2 • )
By formula: (C2H7O+ • H2O • C2H6O) + H2O = (C2H7O+ • 2H2O • C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ • H2O) + C2H6O = (C2H7O+ • C2H6O • H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.4 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2) + = (C2H7O+ • • 2)
By formula: (C2H7O+ • 2CH4O) + C2H6O = (C2H7O+ • C2H6O • 2CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.5 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 133. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 3) + = (C2H7O+ • • 3)
By formula: (C2H7O+ • 3CH4O) + C2H6O = (C2H7O+ • C2H6O • 3CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.3 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 107. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ • C2H6O) + CH4O = (C2H7O+ • CH4O • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 75.7 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 128. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ • CH4O) + C2H6O = (C2H7O+ • C2H6O • CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 84.5 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 125. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ • C2H6O) + C2H6O = (C2H7O+ • 2C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.3 | kJ/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 117. | J/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: CH6N+ + C2H6O = (CH6N+ • C2H6O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 90.0 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: (Li+ • 2C2H6O) + C2H6O = (Li+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 89.1 ± 7.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
110. (+5.9,-0.) | CID | More, Gledening, et al., 1996 | gas phase; guided ion beam CID; M |
By formula: (Li+ • 3C2H6O) + C2H6O = (Li+ • 4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68. ± 10. | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
95.4 (+6.7,-0.) | CID | More, Gledening, et al., 1996 | gas phase; guided ion beam CID; M |
By formula: (Li+ • C2H6O) + C2H6O = (Li+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 121. ± 5.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
130. (+4.,-0.) | CID | More, Gledening, et al., 1996 | gas phase; guided ion beam CID; M |
+ = C2H6ClO-
By formula: Cl- + C2H6O = C2H6ClO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.4 ± 1.7 | kJ/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12. ± 4.2 | kJ/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
C2H5O- + =
By formula: C2H5O- + H+ = C2H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1703. ± 8.4 | kJ/mol | Bran | DePuy, Bierbaum, et al., 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1666. ± 9.2 | kJ/mol | H-TS | DePuy, Bierbaum, et al., 1984 | gas phase; B |
By formula: (Na+ • 2C2H6O) + C2H6O = (Na+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.9 ± 5.0 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 66.9 ± 5.0 | kJ/mol | CIDT | More, Ray, et al., 1997 | RCD |
By formula: (Na+ • 3C2H6O) + C2H6O = (Na+ • 4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.1 ± 4.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 58.2 ± 4.2 | kJ/mol | CIDT | More, Ray, et al., 1997 | RCD |
By formula: (K+ • 2C2H6O) + C2H6O = (K+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 ± 4.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (K+ • 3C2H6O) + C2H6O = (K+ • 4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.2 ± 7.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Cs+ • 2C2H6O) + C2H6O = (Cs+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. ± 9.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Cs+ • C2H6O) + C2H6O = (Cs+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.9 ± 5.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Rb+ • 2C2H6O) + C2H6O = (Rb+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. ± 11. | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Rb+ • C2H6O) + C2H6O = (Rb+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.8 ± 5.0 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (K+ • C2H6O) + C2H6O = (K+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.0 ± 5.0 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Cu+ • 2C2H6O) + C2H6O = (Cu+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.8 ± 4.2 | kJ/mol | CIDT | Koizumi, 2001 | RCD |
By formula: (Cu+ • 3C2H6O) + C2H6O = (Cu+ • 4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45. ± 10. | kJ/mol | CIDT | Koizumi, 2001 | RCD |
By formula: (Cu+ • C2H6O) + C2H6O = (Cu+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 193. ± 7.9 | kJ/mol | CIDT | Koizumi, 2001 | RCD |
By formula: Cs+ + C2H6O = (Cs+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 ± 5.0 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: Rb+ + C2H6O = (Rb+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.9 ± 9.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Ion clustering data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: (CH5O+ • CH4O) + C2H6O = (CH5O+ • C2H6O • CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 91.6 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
By formula: (CH5O+ • 2CH4O) + C2H6O = (CH5O+ • C2H6O • 2CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.0 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
By formula: (CH5O+ • 3CH4O) + C2H6O = (CH5O+ • C2H6O • 3CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.3 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 129. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
By formula: CH5O+ + C2H6O = (CH5O+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 146. | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be ((CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be ((CH3)2OH+; M |
By formula: CH6N+ + C2H6O = (CH6N+ • C2H6O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 90.0 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: (C2H7O+ • CH4O) + C2H6O = (C2H7O+ • C2H6O • CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 84.5 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 125. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2) + = (C2H7O+ • • 2)
By formula: (C2H7O+ • 2CH4O) + C2H6O = (C2H7O+ • C2H6O • 2CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.5 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 133. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 3) + = (C2H7O+ • • 3)
By formula: (C2H7O+ • 3CH4O) + C2H6O = (C2H7O+ • C2H6O • 3CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.3 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 107. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: C2H7O+ + C2H6O = (C2H7O+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 134. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
ΔrH° | 128. | kJ/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 133. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
ΔrS° | 124. | J/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: (C2H7O+ • C2H6O) + C2H6O = (C2H7O+ • 2C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.3 | kJ/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 117. | J/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
(C2H7O+ • • ) + = (C2H7O+ • 2 • )
By formula: (C2H7O+ • C2H6O • H2O) + C2H6O = (C2H7O+ • 2C2H6O • H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 70.3 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 111. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • • 2) + = (C2H7O+ • 2 • 2)
By formula: (C2H7O+ • C2H6O • 2H2O) + C2H6O = (C2H7O+ • 2C2H6O • 2H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.1 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 153. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
(C2H7O+ • 2 • ) + = (C2H7O+ • 3 • )
By formula: (C2H7O+ • 2C2H6O • H2O) + C2H6O = (C2H7O+ • 3C2H6O • H2O)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 90.8 | kJ/mol | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 174. | J/mol*K | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
By formula: (C2H7O+ • H2O) + C2H6O = (C2H7O+ • C2H6O • H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.4 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2) + = (C2H7O+ • • 2)
By formula: (C2H7O+ • 2H2O) + C2H6O = (C2H7O+ • C2H6O • 2H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.6 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.4 | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 3) + = (C2H7O+ • • 3)
By formula: (C2H7O+ • 3H2O) + C2H6O = (C2H7O+ • C2H6O • 3H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 70.7 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 138. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: C3H7O2+ + C2H6O = (C3H7O2+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 126. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 90.4 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C4H9O2+ + C2H6O = (C4H9O2+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 125. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 122. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 88.7 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C10H10Fe+ + C2H6O = (C10H10Fe+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15. | 250. | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
+ = C2H6ClO-
By formula: Cl- + C2H6O = C2H6ClO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.4 ± 1.7 | kJ/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12. ± 4.2 | kJ/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
By formula: Cs+ + C2H6O = (Cs+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 ± 5.0 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Cs+ • C2H6O) + C2H6O = (Cs+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.9 ± 5.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Cs+ • 2C2H6O) + C2H6O = (Cs+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. ± 9.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: Cu+ + C2H6O = (Cu+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 185. ± 12. | kJ/mol | CIDT | Koizumi, 2001 | RCD |
By formula: (Cu+ • C2H6O) + C2H6O = (Cu+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 193. ± 7.9 | kJ/mol | CIDT | Koizumi, 2001 | RCD |
By formula: (Cu+ • 2C2H6O) + C2H6O = (Cu+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.8 ± 4.2 | kJ/mol | CIDT | Koizumi, 2001 | RCD |
By formula: (Cu+ • 3C2H6O) + C2H6O = (Cu+ • 4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45. ± 10. | kJ/mol | CIDT | Koizumi, 2001 | RCD |
By formula: K+ + C2H6O = (K+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.8 ± 4.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 92.9 | kJ/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
ΔrH° | 87.0 | kJ/mol | HPMS | Davidson and Kebarle, 1976, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 112. | J/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
ΔrS° | 104. | J/mol*K | HPMS | Davidson and Kebarle, 1976, 2 | gas phase; M |
By formula: (K+ • C2H6O) + C2H6O = (K+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.0 ± 5.0 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (K+ • 2C2H6O) + C2H6O = (K+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 ± 4.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (K+ • 3C2H6O) + C2H6O = (K+ • 4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.2 ± 7.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: Li+ + C2H6O = (Li+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 165. ± 11. | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 165. | kJ/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
ΔrH° | 160. | kJ/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 131. | kJ/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
165. (+10.,-0.) | CID | More, Gledening, et al., 1996 | gas phase; guided ion beam CID; M |
By formula: (Li+ • C2H6O) + C2H6O = (Li+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 121. ± 5.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
130. (+4.,-0.) | CID | More, Gledening, et al., 1996 | gas phase; guided ion beam CID; M |
By formula: (Li+ • 2C2H6O) + C2H6O = (Li+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 89.1 ± 7.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
110. (+5.9,-0.) | CID | More, Gledening, et al., 1996 | gas phase; guided ion beam CID; M |
By formula: (Li+ • 3C2H6O) + C2H6O = (Li+ • 4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68. ± 10. | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
95.4 (+6.7,-0.) | CID | More, Gledening, et al., 1996 | gas phase; guided ion beam CID; M |
By formula: Na+ + C2H6O = (Na+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 100. ± 5.4 | kJ/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 91.6 ± 4.6 | kJ/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 92.0 ± 5.0 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 92.9 ± 5.0 | kJ/mol | CIDT | More, Ray, et al., 1997 | RCD |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
73.6 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
73.6 | 298. | CIDC | McMahon and Ohanessian, 2000 | RCD |
By formula: (Na+ • C2H6O) + C2H6O = (Na+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 85. ± 7. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
By formula: (Na+ • 2C2H6O) + C2H6O = (Na+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.9 ± 5.0 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 66.9 ± 5.0 | kJ/mol | CIDT | More, Ray, et al., 1997 | RCD |
By formula: (Na+ • 3C2H6O) + C2H6O = (Na+ • 4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.1 ± 4.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 58.2 ± 4.2 | kJ/mol | CIDT | More, Ray, et al., 1997 | RCD |
By formula: Rb+ + C2H6O = (Rb+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.9 ± 9.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Rb+ • C2H6O) + C2H6O = (Rb+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.8 ± 5.0 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Rb+ • 2C2H6O) + C2H6O = (Rb+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. ± 11. | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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. |
---|---|
NIST MS number | 78 |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kennedy, Sagenkahn, et al., 1941
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Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules,
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Thermochemical data on Ggs-phase ion-molecule association and clustering reactions,
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Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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