Dimethyl ether

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Gas phase ion energetics data

Go To: Top, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C2H6O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.025 ± 0.025eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)792.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity764.5kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.025 ± 0.025PIPECOButler, Holland, et al., 1984LBLHLM
9.95 ± 0.07EIBowen and Maccoll, 1984LBLHLM
10.04PEKimura, Katsumata, et al., 1981LLK
9.8 ± 0.1PEAue, Webb, et al., 1980LLK
9.8PEAue and Bowers, 1979LLK
10.01 ± 0.01PIBotter, Pechine, et al., 1977LLK
9.94 ± 0.01PECocksey, Eland, et al., 1971LLK
10.1 ± 0.2EIIvko, 1970RDSH
9.94PEDewar and Worley, 1969RDSH
9.96 ± 0.05SHernandez, 1963RDSH
10.00 ± 0.02PIWatanabe, 1957RDSH
10.0PEBajic, Humski, et al., 1985Vertical value; LBLHLM
10.1PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
11.94PEUtsunomiya, Kobayashi, et al., 1980Vertical value; LLK
10.0 ± 0.2PECarnovale, Livett, et al., 1980Vertical value; LLK
10.1PEAue and Bowers, 1979Vertical value; LLK
10.03PEKobayashi, 1978Vertical value; LLK
9.98PEBenoit and Harrison, 1977Vertical value; LLK
10.052PEAue, Webb, et al., 1975Vertical value; LLK
10.04PEBock, Mollere, et al., 1973Vertical value; LLK
10.04PECradock and Whiteford, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+≤12.85 ± 0.10H2+CH3PIPECOButler, Holland, et al., 1984T = 298K; LBLHLM
CHO+14.0 ± 0.2?EIIvko, 1970RDSH
CH3+≤14.4 ± 0.1CH2O+HPIPECOButler, Holland, et al., 1984T = 298K; LBLHLM
CH3+14.93 ± 0.13?EIHaney and Franklin, 1969RDSH
CH3O+≤11.85 ± 0.10CH3PIPECOButler, Holland, et al., 1984T = 298K; LBLHLM
CH3O+≤11.8CH3EILossing, 1977LLK
CH3O+12.4 ± 0.1CH3EIIvko, 1970RDSH
CH3O+11.95 ± 0.05CH3EIHaney and Franklin, 1969RDSH
C2H5O+11.115 ± 0.010HPIPECOButler, Holland, et al., 1984T = 0K; LBLHLM
C2H5O+10.99 ± 0.08HEIBowen and Maccoll, 1984LBLHLM
C2H5O+10.99HEILossing, 1977LLK
C2H5O+11.23 ± 0.04HEISolka and Russell, 1974LLK
C2H5O+10.70 ± 0.13HEIFinney and Harrison, 1972LLK
C2H5O+11.55 ± 0.15HEIIvko, 1970RDSH
C2H5O+11.42 ± 0.01HEIMartin, Lampe, et al., 1966RDSH

De-protonation reactions

C2H5O- + Hydrogen cation = Dimethyl ether

By formula: C2H5O- + H+ = C2H6O

Quantity Value Units Method Reference Comment
ΔrH°1703. ± 8.4kJ/molBranDePuy, Bierbaum, et al., 1984gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°1666. ± 9.2kJ/molH-TSDePuy, Bierbaum, et al., 1984gas phase; B

Ion clustering data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, 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

(CH5O+ • Methyl Alcohol) + Dimethyl ether = (CH5O+ • Dimethyl ether • Methyl Alcohol)

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°91.6kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M
Quantity Value Units Method Reference Comment
ΔrS°105.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M

(CH5O+ • 2Methyl Alcohol) + Dimethyl ether = (CH5O+ • Dimethyl ether • 2Methyl Alcohol)

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°72.0kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M
Quantity Value Units Method Reference Comment
ΔrS°120.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M

(CH5O+ • 3Methyl Alcohol) + Dimethyl ether = (CH5O+ • Dimethyl ether • 3Methyl Alcohol)

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°57.3kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M
Quantity Value Units Method Reference Comment
ΔrS°129.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M

CH5O+ + Dimethyl ether = (CH5O+ • Dimethyl ether)

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/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be ((CH3)2OH+; M
Quantity Value Units Method Reference Comment
ΔrS°103.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be ((CH3)2OH+; M

CH6N+ + Dimethyl ether = (CH6N+ • Dimethyl ether)

By formula: CH6N+ + C2H6O = (CH6N+ • C2H6O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
ΔrH°90.0kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°123.J/mol*KPHPMSMeot-Ner, 1984gas phase; M

(C2H7O+ • Methyl Alcohol) + Dimethyl ether = (C2H7O+ • Dimethyl ether • Methyl Alcohol)

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°84.5kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
ΔrS°125.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • 2Methyl Alcohol) + Dimethyl ether = (C2H7O+ • Dimethyl ether • 2Methyl Alcohol)

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°69.5kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
ΔrS°133.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • 3Methyl Alcohol) + Dimethyl ether = (C2H7O+ • Dimethyl ether • 3Methyl Alcohol)

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°52.3kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
ΔrS°107.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

C2H7O+ + Dimethyl ether = (C2H7O+ • Dimethyl ether)

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/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; M
ΔrH°128.kJ/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°133.J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; M
ΔrS°124.J/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; M

(C2H7O+ • Dimethyl ether) + Dimethyl ether = (C2H7O+ • 2Dimethyl ether)

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°42.3kJ/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°117.J/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; M

(C2H7O+ • Dimethyl ether • Water) + Dimethyl ether = (C2H7O+ • 2Dimethyl ether • Water)

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°70.3kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
ΔrS°111.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • Dimethyl ether • 2Water) + Dimethyl ether = (C2H7O+ • 2Dimethyl ether • 2Water)

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°66.1kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrS°153.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, Entropy change is questionable; M

(C2H7O+ • 2Dimethyl ether • Water) + Dimethyl ether = (C2H7O+ • 3Dimethyl ether • Water)

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°90.8kJ/molPHPMSTholman, Tonner, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°174.J/mol*KPHPMSTholman, Tonner, et al., 1994gas phase; M

(C2H7O+ • Water) + Dimethyl ether = (C2H7O+ • Dimethyl ether • Water)

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°77.4kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • 2Water) + Dimethyl ether = (C2H7O+ • Dimethyl ether • 2Water)

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°68.6kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
ΔrS°95.4J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • 3Water) + Dimethyl ether = (C2H7O+ • Dimethyl ether • 3Water)

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°70.7kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
ΔrS°138.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

C3H7O2+ + Dimethyl ether = (C3H7O2+ • Dimethyl ether)

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/molICRLarson and McMahon, 1982gas 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*KN/ALarson and McMahon, 1982gas 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°90.4kJ/molICRLarson and McMahon, 1982gas 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

C4H9O2+ + Dimethyl ether = (C4H9O2+ • Dimethyl ether)

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/molICRLarson and McMahon, 1982gas 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*KN/ALarson and McMahon, 1982gas 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°88.7kJ/molICRLarson and McMahon, 1982gas 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

C10H10Fe+ + Dimethyl ether = (C10H10Fe+ • Dimethyl ether)

By formula: C10H10Fe+ + C2H6O = (C10H10Fe+ • C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°40.kJ/molPHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/AMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.250.PHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M

Chlorine anion + Dimethyl ether = C2H6ClO-

By formula: Cl- + C2H6O = C2H6ClO-

Quantity Value Units Method Reference Comment
ΔrH°31.4 ± 1.7kJ/molTDAsBogdanov, Lee, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°12. ± 4.2kJ/molTDAsBogdanov, Lee, et al., 2001gas phase; B

Cesium ion (1+) + Dimethyl ether = (Cesium ion (1+) • Dimethyl ether)

By formula: Cs+ + C2H6O = (Cs+ • C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°56.9 ± 5.0kJ/molCIDTRodgers and Armentrout, 2000RCD

(Cesium ion (1+) • Dimethyl ether) + Dimethyl ether = (Cesium ion (1+) • 2Dimethyl ether)

By formula: (Cs+ • C2H6O) + C2H6O = (Cs+ • 2C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°46.9 ± 5.9kJ/molCIDTRodgers and Armentrout, 2000RCD

(Cesium ion (1+) • 2Dimethyl ether) + Dimethyl ether = (Cesium ion (1+) • 3Dimethyl ether)

By formula: (Cs+ • 2C2H6O) + C2H6O = (Cs+ • 3C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°40. ± 9.2kJ/molCIDTRodgers and Armentrout, 2000RCD

Copper ion (1+) + Dimethyl ether = (Copper ion (1+) • Dimethyl ether)

By formula: Cu+ + C2H6O = (Cu+ • C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°185. ± 12.kJ/molCIDTKoizumi, 2001RCD

(Copper ion (1+) • Dimethyl ether) + Dimethyl ether = (Copper ion (1+) • 2Dimethyl ether)

By formula: (Cu+ • C2H6O) + C2H6O = (Cu+ • 2C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°193. ± 7.9kJ/molCIDTKoizumi, 2001RCD

(Copper ion (1+) • 2Dimethyl ether) + Dimethyl ether = (Copper ion (1+) • 3Dimethyl ether)

By formula: (Cu+ • 2C2H6O) + C2H6O = (Cu+ • 3C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°54.8 ± 4.2kJ/molCIDTKoizumi, 2001RCD

(Copper ion (1+) • 3Dimethyl ether) + Dimethyl ether = (Copper ion (1+) • 4Dimethyl ether)

By formula: (Cu+ • 3C2H6O) + C2H6O = (Cu+ • 4C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°45. ± 10.kJ/molCIDTKoizumi, 2001RCD

Potassium ion (1+) + Dimethyl ether = (Potassium ion (1+) • Dimethyl ether)

By formula: K+ + C2H6O = (K+ • C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°72.8 ± 4.2kJ/molCIDTRodgers and Armentrout, 2000RCD
ΔrH°92.9kJ/molHPMSDavidson and Kebarle, 1976gas phase; M
ΔrH°87.0kJ/molHPMSDavidson and Kebarle, 1976, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°112.J/mol*KHPMSDavidson and Kebarle, 1976gas phase; M
ΔrS°104.J/mol*KHPMSDavidson and Kebarle, 1976, 2gas phase; M

(Potassium ion (1+) • Dimethyl ether) + Dimethyl ether = (Potassium ion (1+) • 2Dimethyl ether)

By formula: (K+ • C2H6O) + C2H6O = (K+ • 2C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°69.0 ± 5.0kJ/molCIDTRodgers and Armentrout, 2000RCD

(Potassium ion (1+) • 2Dimethyl ether) + Dimethyl ether = (Potassium ion (1+) • 3Dimethyl ether)

By formula: (K+ • 2C2H6O) + C2H6O = (K+ • 3C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°56.9 ± 4.2kJ/molCIDTRodgers and Armentrout, 2000RCD

(Potassium ion (1+) • 3Dimethyl ether) + Dimethyl ether = (Potassium ion (1+) • 4Dimethyl ether)

By formula: (K+ • 3C2H6O) + C2H6O = (K+ • 4C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°50.2 ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD

Lithium ion (1+) + Dimethyl ether = (Lithium ion (1+) • Dimethyl ether)

By formula: Li+ + C2H6O = (Li+ • C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°165. ± 11.kJ/molCIDTRodgers and Armentrout, 2000RCD
ΔrH°165.kJ/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
ΔrH°160.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KN/AWoodin and Beauchamp, 1978gas 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/molICRWoodin and Beauchamp, 1978gas 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.) CIDMore, Gledening, et al., 1996gas phase; guided ion beam CID; M

(Lithium ion (1+) • Dimethyl ether) + Dimethyl ether = (Lithium ion (1+) • 2Dimethyl ether)

By formula: (Li+ • C2H6O) + C2H6O = (Li+ • 2C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°121. ± 5.9kJ/molCIDTRodgers and Armentrout, 2000RCD

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
130. (+4.,-0.) CIDMore, Gledening, et al., 1996gas phase; guided ion beam CID; M

(Lithium ion (1+) • 2Dimethyl ether) + Dimethyl ether = (Lithium ion (1+) • 3Dimethyl ether)

By formula: (Li+ • 2C2H6O) + C2H6O = (Li+ • 3C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°89.1 ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
110. (+5.9,-0.) CIDMore, Gledening, et al., 1996gas phase; guided ion beam CID; M

(Lithium ion (1+) • 3Dimethyl ether) + Dimethyl ether = (Lithium ion (1+) • 4Dimethyl ether)

By formula: (Li+ • 3C2H6O) + C2H6O = (Li+ • 4C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°68. ± 10.kJ/molCIDTRodgers and Armentrout, 2000RCD

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
95.4 (+6.7,-0.) CIDMore, Gledening, et al., 1996gas phase; guided ion beam CID; M

Sodium ion (1+) + Dimethyl ether = (Sodium ion (1+) • Dimethyl ether)

By formula: Na+ + C2H6O = (Na+ • C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°100. ± 5.4kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°91.6 ± 4.6kJ/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°92.0 ± 5.0kJ/molCIDTRodgers and Armentrout, 2000RCD
ΔrH°92.9 ± 5.0kJ/molCIDTMore, Ray, et al., 1997RCD

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
73.6298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD
73.6298.CIDCMcMahon and Ohanessian, 2000RCD

(Sodium ion (1+) • Dimethyl ether) + Dimethyl ether = (Sodium ion (1+) • 2Dimethyl ether)

By formula: (Na+ • C2H6O) + C2H6O = (Na+ • 2C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°85. ± 7.kJ/molAVGN/AAverage of 7 values; Individual data points

(Sodium ion (1+) • 2Dimethyl ether) + Dimethyl ether = (Sodium ion (1+) • 3Dimethyl ether)

By formula: (Na+ • 2C2H6O) + C2H6O = (Na+ • 3C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°69.9 ± 5.0kJ/molCIDTRodgers and Armentrout, 2000RCD
ΔrH°66.9 ± 5.0kJ/molCIDTMore, Ray, et al., 1997RCD

(Sodium ion (1+) • 3Dimethyl ether) + Dimethyl ether = (Sodium ion (1+) • 4Dimethyl ether)

By formula: (Na+ • 3C2H6O) + C2H6O = (Na+ • 4C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°61.1 ± 4.2kJ/molCIDTRodgers and Armentrout, 2000RCD
ΔrH°58.2 ± 4.2kJ/molCIDTMore, Ray, et al., 1997RCD

Rubidium ion (1+) + Dimethyl ether = (Rubidium ion (1+) • Dimethyl ether)

By formula: Rb+ + C2H6O = (Rb+ • C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°61.9 ± 9.2kJ/molCIDTRodgers and Armentrout, 2000RCD

(Rubidium ion (1+) • Dimethyl ether) + Dimethyl ether = (Rubidium ion (1+) • 2Dimethyl ether)

By formula: (Rb+ • C2H6O) + C2H6O = (Rb+ • 2C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°54.8 ± 5.0kJ/molCIDTRodgers and Armentrout, 2000RCD

(Rubidium ion (1+) • 2Dimethyl ether) + Dimethyl ether = (Rubidium ion (1+) • 3Dimethyl ether)

By formula: (Rb+ • 2C2H6O) + C2H6O = (Rb+ • 3C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°37. ± 11.kJ/molCIDTRodgers and Armentrout, 2000RCD

Mass spectrum (electron ionization)

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

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NIST MS number 78

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Gas Chromatography

Go To: Top, Gas phase ion energetics 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: 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
PackedSqualane50.323.Becerra, Sánchez, et al., 1982N2, Chromosorb W-AM; Column length: 6. m
PackedSqualane50.325.Becerra, Sánchez, et al., 1982N2, Chromosorb W-AM; Column length: 6. m
PackedApiezon L120.324.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.331.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon M130.323.Golovnya and Garbuzov, 1974N2, Chromosorb W; Column length: 2.1 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101327.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySE-30350.Vinogradov, 2004Program: not specified
CapillarySPB-1328.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes327.Zenkevich and Chupalov, 1996Program: not specified
CapillarySPB-1328.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M60.478.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M80.481.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M524.Vinogradov, 2004Program: not specified

References

Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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Aue, D.H.; Webb, H.M.; Davidson, W.R.; Vidal, M.; Bowers, M.T.; Goldwhite, H.; Vertal, L.E.; Douglas, J.E.; Kollman, P.A.; Kenyon, G.L., Proton affinities photoelectron spectra of three-membered-ring J. Heterocycl. Chem., J. Am. Chem. Soc., 1980, 102, 5151. [all data]

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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]

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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]

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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]

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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]

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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]

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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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Becerra, M.R.; Sánchez, E.F.; Domínguez, J.A.G.; Muñoz, J.G.; Molera, M.J., The use of gaseous and liquid n-paraffins in GC identification of oxidation products of acetondimethyl acetal, J. Chromatogr. Sci., 1982, 20, 8, 363-366, https://doi.org/10.1093/chromsci/20.8.363 . [all data]

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Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Golovnya and Garbuzov, 1974
Golovnya, R.V.; Garbuzov, V.G., Effect of heteroatom in aliphatic sulfur- and oxygen-containing compounds on the values of the retention indices in gas chromatography, Izv. Akad. Nauk SSSR Ser. Khim., 1974, 7, 1519-1521. [all data]

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Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

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Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Sun, Siepmann, et al., 2006
Sun, L.; Siepmann, J.I.; Klotz, W.L.; Schure, M.R., retention in gas-liquid chromatography with a polyethylene oxide stationary phase: molecular simulation and experiment, J. Chromatogr. A, 2006, 1126, 1-2, 373-380, https://doi.org/10.1016/j.chroma.2006.05.084 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References