Carbonic acid, dimethyl ester
- Formula: C3H6O3
- Molecular weight: 90.0779
- IUPAC Standard InChI: InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3
- 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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Reaction thermochemistry data
Go To: Top, IR Spectrum, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+
=
+ 2
By formula: C5H12O4 + H2O = C3H6O3 + 2CH4O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.521 ± 0.011 | kcal/mol | Cm | Wiberg, 1980 | liquid phase; solvent: Water; Hydroysis |
| ΔrH° | -7.521 ± 0.011 | kcal/mol | Cm | Wiberg and Squires, 1979 | liquid phase; solvent: Water; Hydrolysis |
| ΔrH° | -7.43 ± 0.41 | kcal/mol | Cm | Hine and Klueppet, 1974 | liquid phase |
+ 2
=
+
By formula: C4H6O3 + 2CH4O = C3H8O2 + C3H6O3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -1.66 | kcal/mol | Kin | Zhang and Luo, 1991 | liquid phase |
IR Spectrum
Go To: Top, Reaction thermochemistry data, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, Reaction thermochemistry data, IR Spectrum, 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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 620. | Rotsatschakul, Visesanguan, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) |
References
Go To: Top, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg, 1980
Wiberg, K.B.,
Energies of organic compounds,
Rept. DOE-E(11-1)4060 Prepared for US Dept. of Energy by Yale Univ., New Haven, CT. Avail. NTIS, 1980, 1-24. [all data]
Wiberg and Squires, 1979
Wiberg, K.B.; Squires, R.R.,
A microprocessor-controlled system for precise measurement of temperature changes. Determination of the enthalpies of hydrolysis of some polyoxygenated hydrocarbons,
J. Chem. Thermodyn., 1979, 11, 773-786. [all data]
Hine and Klueppet, 1974
Hine, J.; Klueppet, A.W.,
Structural effects on rates and equilibria. XVIII. Thermodynamic stability of ortho esters,
J. Am. Chem. Soc., 1974, 96, 2924-2929. [all data]
Zhang and Luo, 1991
Zhang, S.; Luo, Y.,
Kinetics and technological conditions for the synthesis of dimethyl carbonate,
Chem. React. Eng. Tech., 1991, 7, 10-19. [all data]
Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S.,
Changes in volatile compounds during fermentation of nham (Thai fermented sausage),
Int. Food Res. J., 2009, 16, 391-414. [all data]
Notes
Go To: Top, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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