Acetic acid, methoxy-, methyl ester
- Formula: C4H8O3
- Molecular weight: 104.1045
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: QRMHDGWGLNLHMN-UHFFFAOYSA-N
- CAS Registry Number: 6290-49-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Methyl methoxyacetate; Methyl 2-methoxyacetate; Methoxyacetic acid methyl ester; CBC 108569; Methoxymethyl acetate
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Phase change data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
|Tboil||402.7||K||N/A||Aldrich Chemical Company Inc., 1990||BS|
|Tboil||404.2||K||N/A||Weast and Grasselli, 1989||BS|
|vapH°||47.2 ± 4.2||kJ/mol||E||Guthrie and Cullimore, 1980||ALS|
Enthalpy of vaporization
|vapH (kJ/mol)||Temperature (K)||Method||Reference||Comment|
|39.3||297.||A||Stephenson and Malanowski, 1987||Based on data from 285. - 310. K.; AC|
Reaction thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
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.
+ = + 2
By formula: C6H14O4 + H2O = C4H8O3 + 2CH4O
|rH°||-52.43 ± 0.50||kJ/mol||Eqk||Guthrie and Cullimore, 1980||liquid phase|
+ = +
By formula: C4H8O3 + H2O = C3H6O3 + CH4O
|rH°||-65.6 ± 5.9||kJ/mol||Eqk||Guthrie and Cullimore, 1980||liquid phase|
Gas phase ion energetics data
Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
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
Ionization energy determinations
|9.56 ± 0.05||EI||Pignataro, Foffani, et al., 1966||RDSH|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C2H3O2+||10.74||C2H5O||EI||Holmes, Lossing, et al., 1991||LL|
|C2H3O2+||10.54||C2H5O||EI||Holmes, Lossing, et al., 1991||LL|
|C3H5O2+||9.6||CH3O||EI||Burgers, Holmes, et al., 1986||LBLHLM|
|C3H6O2+||10.48 ± 0.05||CH2O||EI||Burgers, Holmes, et al., 1986||LBLHLM|
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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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.
|Origin||Japan AIST/NIMC Database- Spectrum MS-NW-8954|
|NIST MS number||236678|
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Guthrie and Cullimore, 1980
Guthrie, J.P.; Cullimore, P.A., Effect of the acyl substituent on the equilibrium constant for hydration of esters, Can. J. Chem., 1980, 58, 1281-1294. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]
Pignataro, Foffani, et al., 1966
Pignataro, S.; Foffani, A.; Innorta, G.; Distefano, G., Molecular structural effects on the ionization potentials for metasubstituted aromatic compounds and for compounds of the type X-CH2-R, Z. Physik. Chem. (Frankfurt), 1966, 49, 291. [all data]
Holmes, Lossing, et al., 1991
Holmes, J.L.; Lossing, F.P.; Mayer, P.M., Heats of formation of oxygen-containing organic free radicals from appearance energy measurements, J. Am. Chem. Soc., 1991, 113, 9723. [all data]
Burgers, Holmes, et al., 1986
Burgers, P.C.; Holmes, J.L.; Hop, C.E.C.A.; Terlouw, J.K., Gas phase ion chemistry of methyl acetate, methyl propanoate and their enolic tautomers, Org. Mass Spectrom., 1986, 21, 549. [all data]
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point rH° Enthalpy of reaction at standard conditions vapH Enthalpy of vaporization vapH° Enthalpy of vaporization at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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