Carbonic acid, dimethyl ester
- Formula: C3H6O3
- Molecular weight: 90.0779
- IUPAC Standard InChIKey: IEJIGPNLZYLLBP-UHFFFAOYSA-N
- CAS Registry Number: 616-38-6
- 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. - Other names: Dimethyl carbonate; Methyl carbonate; Methyl carbonate ((MeO)2CO); CH3OCOOCH3; UN 1161; Dimethyl ester of carbonic acid
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Gas phase ion energetics data
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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
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 830.2 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 799.2 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.00 | PE | McGlynn and Meeks, 1976 | Vertical value; LLK |
11.2 | PE | Wittel, Astrup, et al., 1975 | Vertical value; LLK |
11.00 | PE | Meeks, Arnett, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3O+ | 10.96 ± 0.05 | C2H3O2 | EI | Suh, Kingsmill, et al., 1995 | Unpublished result of F.P.Lossing; LL |
C2H3O2+ | 11.50 ± 0.05 | CH3O | EI | Blanchette, Holmes, et al., 1986 | LBLHLM |
C2H3O2+ | 12.15 ± 0.08 | CH3O | EI | Briggs and Shannon, 1969 | RDSH |
C2H4O2+ | 11.56 ± 0.05 | CH2O | EI | Terlouw, Wezenberg, et al., 1983 | LBLHLM |
C2H4O2+ | 11.5 ± 0.2 | CH2O | EI | Terlouw, Wezenberg, et al., 1983 | LBLHLM |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
McGlynn and Meeks, 1976
McGlynn, S.P.; Meeks, J.L.,
Photoelectron spectra of carbonyls, carbonates, oxalates and esterification effects,
J. Electron Spectrosc. Relat. Phenom., 1976, 8, 85. [all data]
Wittel, Astrup, et al., 1975
Wittel, K.; Astrup, E.E.; Bock, H.; Graeffe, G.; Juslen, H.,
Photoelectron spectra and molecular properties, XLVIII Carbonates thio- carbonates,
Z. Naturforsch. B:, 1975, 30, 862. [all data]
Meeks, Arnett, et al., 1975
Meeks, J.L.; Arnett, J.F.; Larson, D.; McGlynn, S.P.,
Photoelectron spectroscopy of carbonyls. Ionization assignments,
Chem. Phys. Lett., 1975, 30, 190. [all data]
Suh, Kingsmill, et al., 1995
Suh, D.; Kingsmill, C.A.; Ruttink, P.J.A.; Burgers, P.C.; Terlouw, J.K.,
C-H...O and O...H...O bonded intermediates in the dissociation of low energy methyl glycolate radical cations,
Int. J. Mass Spectrom. Ion Processes, 1995, 146/147, 305. [all data]
Blanchette, Holmes, et al., 1986
Blanchette, M.C.; Holmes, J.L.; Hop, C.E.C.A.; Lossing, F.P.; Postma, R.; Ruttink, P.J.A.; Terlouw, J.K.,
Theory and experiment in concert; the CH3O-C=O+ ion and its isomers,
J. Am. Chem. Soc., 1986, 108, 7589. [all data]
Briggs and Shannon, 1969
Briggs, P.R.; Shannon, T.W.,
The heat of formation of the methoxycarbonyl ion,
J. Am. Chem. Soc., 1969, 91, 4307. [all data]
Terlouw, Wezenberg, et al., 1983
Terlouw, J.K.; Wezenberg, J.; Burgers, P.C.; Holmes, J.L.,
New stable isomers of [C2H4O]+ and [C2H4O2]+, the radical cations [CH2COH]+ and [CH3OCOH]+,
J. Chem. Soc., Chem. Commun., 1983, 1121. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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