What is the molecular formula of 1-ethyl-3-methylimidazolium-2-carboxylate?
The molecular formula is C7H10N2O2.
What is the molecular weight of 1-ethyl-3-methylimidazolium-2-carboxylate?
The molecular weight is 154.17 g/mol.
What is the IUPAC name of 1-ethyl-3-methylimidazolium-2-carboxylate?
The IUPAC name is 1-ethyl-3-methylimidazol-3-ium-2-carboxylate.
What is the InChI of 1-ethyl-3-methylimidazolium-2-carboxylate?
The InChI is InChI=1S/C7H10N2O2/c1-3-9-5-4-8(2)6(9)7(10)11/h4-5H,3H2,1-2H3.
What is the InChIKey of 1-ethyl-3-methylimidazolium-2-carboxylate?
The InChIKey is AACQANZPAVCEIV-UHFFFAOYSA-N.
What is the canonical SMILES of 1-ethyl-3-methylimidazolium-2-carboxylate?
The canonical SMILES is CCN1C=C[N+](=C1C(=O)[O-])C.
What is the XLogP3-AA value of 1-ethyl-3-methylimidazolium-2-carboxylate?
The XLogP3-AA value is 1.
How many hydrogen bond donor count does 1-ethyl-3-methylimidazolium-2-carboxylate have?
It has 0 hydrogen bond donor count.
How many hydrogen bond acceptor count does 1-ethyl-3-methylimidazolium-2-carboxylate have?
It has 2 hydrogen bond acceptor count.
What is the topological polar surface area of 1-ethyl-3-methylimidazolium-2-carboxylate?
The topological polar surface area is 48.9Ų.
1-Ethyl-3-Methylimidazolium-2-Carboxylate as A Product of The CO2 Capture
Samuel Seo, et al. J. Phys. Chem. B 2014, 118, 51, 14870-14879.
Ionic liquids (ILs) with aprotic heterocyclic anions (AHA) with 1-ethyl-3-methylimidazolium ([emim]+) cations are attractive candidates for CO2 capture. AHA is a basic anion capable of reacting stoichiometrically with CO2 to form carbamate species. The formation of 1-ethyl-3-methylimidazolium-2-carboxylate upon exposure to CO2 under mild conditions (22 °C, 1 bar) has been confirmed in the liquid phase using 1H and 13C NMR spectroscopy. · The size of the resonance peaks in the highlighted region (associated with protons on 1-ethyl-3-methylimidazolium-2-carboxylate) gradually diminishes upon the start of the desorption step.After 5 h, the duplicate peaks have completely disappeared, and the 1H NMR spectrum is identical to that of the pure [emim][2-CNPyr]. · The fully desorbed sample was recovered and used for the second CO2 absorption cycle. The isotherm obtained using the desorbed sample was identical to that of the initial sample. · The reaction of 1,3-diethylimidazolium acetate ([eeim][OAc]) or 1- butyl-3-methylimidazolium acetate ([bmim][OAc]) with CO2 was reversible at reduced pressure with mild heating.
CO2 Absorption of 1-Ethyl-3-Methylimidazolium Ionic Liquid
Umecky, Tatsuya, et al. Journal of CO2 Utilization, 2019, 31, 75-84.
The CO2 absorption characteristics and reaction mechanism of three 1-ethyl-3-methylimidazolium ionic liquids ([C2mim]+) were studied, namely [C2mim][acac], [C2mim][tfacac], and [ C2mim][hfacac]. The CO2 chemisorption product proves 1-ethyl-3-methylimidazolium-2-carboxylate, supporting the elimination of the H2c hydrogen atom from [C2mim]+ cation. Mechanism of CO2 chemisorption · 1-Ethyl-3-methylimidazolium-2-carboxylate is formed by simultaneous occurrence of the making of the carbon-carbon bond between CO2 molecule and the carbon atom at the 2-position of 1,3- dialkylimidazolium cation and the breaking of the carbon-hydrogen covalent bond at the 2-position of the cation. · As the strength of the interaction between the anion and the imidazolium cation becomes larger beyond the threshold, the elimination of the hydrogen atom of the 1,3-dialkylimidazolium cation may be progressed. · An anion in 1,3- dialkylimidazolium IL probably plays the role of the covalent bond breaker in the formation of 1-ethyl-3-methylimidazolium-2-carboxylate. The chemisorption of CO2 in the ILs increased in the order of [C2mim][Tf2N] ≈ [C2mim][TFA] ≈ [C2mim][tfacac] ≈ [C2mim] [hfacac] < [C2mim][acac] < [C2mim][AcO].
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