2-Butenedioic acid (Z)-, dimethyl ester
- Formula: C6H8O4
- Molecular weight: 144.1253
- IUPAC Standard InChI: InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-
- IUPAC Standard InChIKey: LDCRTTXIJACKKU-ARJAWSKDSA-N
- CAS Registry Number: 624-48-6
- 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. - Stereoisomers:
- Other names: Maleic acid, dimethyl ester; Dimethyl cis-ethylenedicarboxylate; Dimethyl maleate; Methyl maleate; Sipomer DMM; Dimethyl cis-butenedioate; 2-Butenedioic acid, dimethyl ester, (Z)-; Dimethylester kyseliny maleinove; 2-Butendioic acid, dimethyl ester, (Z)-; Dimethyl (2Z)-but-2-enedioate; 2-Butenedioic acid (2Z)-, 1,4-dimethyl ester; 2-Butenedioic acid (2Z)-, dimethyl ester
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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 compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.3 | PE | Kobayashi, Yokota, et al., 1975 | Vertical value |
| 10.47 | PE | Sustmann and Trill, 1972 | Vertical value |
Gas Chromatography
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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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Ultra-1 | 100. | 981. | Herrmann, Dufka, et al., 1986 | 25. m/0.20 mm/0.32 μm, N2 |
| Capillary | Ultra-1 | 125. | 979. | Herrmann, Dufka, et al., 1986 | 25. m/0.20 mm/0.32 μm, N2 |
| Capillary | Ultra-1 | 150. | 978. | Herrmann, Dufka, et al., 1986 | 25. m/0.20 mm/0.32 μm, N2 |
| Capillary | Ultra-1 | 75. | 984. | Herrmann, Dufka, et al., 1986 | 25. m/0.20 mm/0.32 μm, N2 |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1019.2 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kobayashi, Yokota, et al., 1975
Kobayashi, T.; Yokota, K.; Nagakura, S.,
Photoelectron spectra of the cis- trans-isomers of some ethylene derivatives,
Bull. Chem. Soc. Jpn., 1975, 48, 412. [all data]
Sustmann and Trill, 1972
Sustmann, R.; Trill, H.,
Photoelektronenspektroskopische Bestimmung von Substituenten-Effekten. II. α,β-ungesattigte Carbonester,
Tetrahedron Lett., 1972, 42, 4271. [all data]
Herrmann, Dufka, et al., 1986
Herrmann, F.; Dufka, O.; Churacek, J.,
Fused-Silica Capillary Gas Chromatography-Mass Spectrometry of Some Dicarboxylic Acids Present in Condensation-Type Polymers I. Dimethyl Esters,
J. Chromatogr., 1986, 360, 79-88, https://doi.org/10.1016/S0021-9673(00)91653-4
. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Notes
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