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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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -184.1 ± 0.50 | kJ/mol | Ccb | Pilcher, Pell, et al., 1964 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -1460.4 ± 0.46 | kJ/mol | Ccb | Pilcher, Pell, et al., 1964 | Corresponding ΔfHºgas = -184.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
42.27 | 100. | Chao J., 1986 | p=1 bar. Selected values are in close agreement with other statistically calculated values [ Handi M.A., 1954, Seha Z., 1955, Banerjee S.C., 1964, Stull D.R., 1969] and ab initio result [ East A.L.L., 1997] at low temperatures. Discrepancies in S(1000 K) and Cp(1000 K) amount to about 5 and 3 J/mol*K, respectively, for [ Handi M.A., 1954, Banerjee S.C., 1964, Stull D.R., 1969].; GT |
48.99 | 150. | ||
54.47 | 200. | ||
62.56 | 273.15 | ||
65.57 ± 0.08 | 298.15 | ||
65.80 | 300. | ||
78.68 | 400. | ||
91.36 | 500. | ||
102.86 | 600. | ||
113.03 | 700. | ||
121.99 | 800. | ||
129.84 | 900. | ||
136.70 | 1000. | ||
142.69 | 1100. | ||
147.89 | 1200. | ||
152.41 | 1300. | ||
156.35 | 1400. | ||
159.77 | 1500. | ||
166.57 | 1750. | ||
171.50 | 2000. | ||
175.15 | 2250. | ||
177.91 | 2500. | ||
180.03 | 2750. | ||
181.70 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
62.01 | 272.20 | Kistiakowsky G.B., 1940 | GT |
65.90 | 300.76 | ||
70.33 | 333.25 | ||
75.14 | 370.42 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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: 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, Gas phase thermochemistry data, Condensed phase thermochemistry 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 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 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pilcher, Pell, et al., 1964
Pilcher, G.; Pell, A.S.; Coleman, D.J.,
Measurements of heats of combustion by flame calorimetry. Part 2-Dimethyl ether, methyl ethyl ether, methyl n-propyl ether, methyl isopropyl ether,
Trans. Faraday Soc., 1964, 60, 499-505. [all data]
Chao J., 1986
Chao J.,
Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties,
J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]
Handi M.A., 1954
Handi M.A.,
Molecular spectroscopy. Determination and interpretation of fundamental frequencies of dimethyl ether from infrared absorption spectrum; application for thermodynamic functions calculation,
Compt. Rend. Acad. Sci., 1954, 239, 349-351. [all data]
Seha Z., 1955
Seha Z.,
Thermodynamic functions of dimethyl ether,
Chem. Listy, 1955, 49, 1569-1570. [all data]
Banerjee S.C., 1964
Banerjee S.C.,
Thermodynamic properties of organic compounds. Part 1. Normal symmetrical aliphatic ethers,
Brit. Chem. Eng., 1964, 9, 311-313. [all data]
Stull D.R., 1969
Stull D.R., Jr.,
The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]
East A.L.L., 1997
East A.L.L.,
Ab initio statistical thermodynamical models for the computation of third-law entropies,
J. Chem. Phys., 1997, 106, 6655-6674. [all data]
Kistiakowsky G.B., 1940
Kistiakowsky G.B.,
Gaseous heat capacities. III,
J. Chem. Phys., 1940, 8, 618-622. [all data]
Kennedy, Sagenkahn, et al., 1941
Kennedy, R.M.; Sagenkahn, M.; Aston, J.G.,
The heat capacity and entropy, heats of fusion and vaporization, and the vapor pressure of dimethyl ether. The density of gaseous dimethyl ether,
J. Am. Chem. Soc., 1941, 63, 2267-2272. [all data]
Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B.,
Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation,
Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X
. [all data]
Woodin and Beauchamp, 1978
Woodin, R.L.; Beauchamp, J.L.,
Bonding of Li+ to Lewis Bases in the Gas Phase. Reversals in Methyl Substituent Effects for Different Reference Acids,
J. Am. Chem. Soc., 1978, 100, 2, 501, https://doi.org/10.1021/ja00470a024
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
More, Gledening, et al., 1996
More, M.B.; Gledening, E.D.; Ray, D.; Feller, D.; Armentrout, P.B.,
Cation-Ether Complexes in the Gas Phase: Bond Dissociation Energies and Equilibrium Structures of Li+[O(CH3)2]x, x=1-4,
J. Phys. Chem., 1996, 100, 5, 1605, https://doi.org/10.1021/jp9523175
. [all data]
Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B.,
Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements,
J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016
. [all data]
Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P.,
Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding,
J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002
. [all data]
Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D.,
Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules,
J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]
Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr.,
Thermochemical data on Ggs-phase ion-molecule association and clustering reactions,
J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]
Amicangelo and Armentrout, 2001
Amicangelo, J.C.; Armentrout, P.B.,
Relative and Absolute Bond Dissociation Energies of Sodium Cation Complexes Determined Using Competitive Collision-Induced Dissociation Experiments,
Int. J. Mass Spectrom., 2001, 212, 1-3, 301, https://doi.org/10.1016/S1387-3806(01)00494-8
. [all data]
Armentrout and Rodgers, 2000
Armentrout, P.B.; Rodgers, M.T.,
An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory,
J. Phys. Chem A, 2000, 104, 11, 2238, https://doi.org/10.1021/jp991716n
. [all data]
More, Ray, et al., 1997
More, M.B.; Ray, D.; Armentrout, P.B.,
Cation-ether complexes in the gas phase: Bond dissociation energies of Na+(dimethyl ether)(x), x=1-4; Na+(1,2-dimethoxyethane)(x), x=1 and 2; and Na+(12-crown-4),
J. Phys. Chem. AJOURNAL OF PHYSICAL CHEMISTRY A 101 (5): 831-839 JAN 30 1997, 1997, 101, 831. [all data]
McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G.,
An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions,
Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7
. [all data]
Meot-Ner (Mautner), 1989
Meot-Ner (Mautner), M.,
Ion DChemistry of Ferrocene. Thermochemistry of Ionization and Protonation and Solvent Clustering. Slow and Entropy - Driven Proton - Transfer Kinetics,
J. Am. Chem. Soc., 1989, 111, 8, 2830, https://doi.org/10.1021/ja00190a014
. [all data]
Hiraoka, Grimsrud, et al., 1974
Hiraoka, K.; Grimsrud, E.P.; Kebarle, P.,
Gas Phase Ion Equilibria Studies of the Hydrogen Ion in Water - Dimethyl Ether and Methanol - Dimethyl Ether Mixtures,
J. Am. Chem. Soc., 1974, 96, 11, 3359, https://doi.org/10.1021/ja00818a004
. [all data]
Meot-Ner (Mautner) and Sieck, 1991
Meot-Ner (Mautner), M.; Sieck, L.W.,
Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range,
J. Am. Chem. Soc., 1991, 113, 12, 4448, https://doi.org/10.1021/ja00012a012
. [all data]
Davidson and Kebarle, 1976
Davidson, W.R.; Kebarle, P.,
Binding Energies and Stabilities of Potassium Ion Complexes with Ethylene Diamine and Dimethoxyethane (Glyme) from Measurements of the Complexing Equilibria in the Gas Phase,
Can. J. Chem., 1976, 54, 16, 2594, https://doi.org/10.1139/v76-368
. [all data]
Davidson and Kebarle, 1976, 2
Davidson, W.R.; Kebarle, P.,
Binding Energies and Stabilities of Potassium Ion Complexes from Studies of Gas Phase Ion Equilibria K+ + M = K+.M,
J. Am. Chem. Soc., 1976, 98, 20, 6133, https://doi.org/10.1021/ja00436a011
. [all data]
Tholman, Tonner, et al., 1994
Tholman, D.; Tonner, D.S.; McMahon, T.B.,
Spontaneous Unimolecular Dissociation of Small Cluster Ions, (H3O)+(L)n and Cl-(H2O)n (n = 2-4), under Fourier Transform Ion Cyclotron Resonance Conditions,
J. Phys. Chem., 1994, 98, 8, 2002, https://doi.org/10.1021/j100059a002
. [all data]
Meot-Ner, 1984
Meot-Ner, (Mautner)M.,
The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects,
J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015
. [all data]
Bogdanov, Lee, et al., 2001
Bogdanov, B.; Lee, H.J.S.; McMahon, T.B.,
Influence of fluorine substitution on the structures and thermochemistry of chloride ion-ether complexes in the gas phase,
Int. J. Mass Spectrom., 2001, 210, 387-402, https://doi.org/10.1016/S1387-3806(01)00404-3
. [all data]
DePuy, Bierbaum, et al., 1984
DePuy, C.H.; Bierbaum, V.M.; Damrauer, R.,
Relative Gas-Phase Acidities of the Alkanes,
J. Am. Chem. Soc., 1984, 106, 4051. [all data]
Koizumi, 2001
Koizumi, H.,
Collision-Induced Dissociation and Theoretical Studies of Cu+-Dimethyl Ether Complexes,
J.Phys. Chem. A, 2001, 105, 11, 2444, https://doi.org/10.1021/jp003509p
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions T Temperature ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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