Infinite Dilution Properties Research Articles

Hydrophobic interactions described using hetero-segmented PC-SAFT: 1. Alcohol/water mixtures

The hydrophobic effect plays a central role in aqueous systems containing molecules with hydrophobic moieties. Despite the relevance of this effect for chemical processes or pharmaceutical applications, modeling remains challenging even using molecular-based models such as different versions of the Statistical Associating Fluid Theory. This work shows the feasibility of hetero-segmented PC-SAFT for this purpose. This model was used as a group contribution method to build molecules from different functional groups, namely from CH2, CH3, and CH2OH groups. Saturated-liquid densities and vapor pressures of n-alkanes and n-alcohols as well as binary mixtures of these molecules were accurately described by this approach. The description of aqueous mixtures containing n-alkanes and n-alcohols was improved compared to state-of-the-art modeling by explicitly accounting for intermolecular interactions resulting in the hydrophobic effect. The so-obtained framework describes the two liquid−liquid equilibrium phases in mixtures of n-alkanes or n-alcohols with water equally well using a single set of transferable parameters. The model was also validated for vapor–liquid equilibria, solid–liquid equilibria, infinite-dilution properties, as well as octanol/water partition coefficients and showed quantitative agreement with experimental data.

EPC-SAFT advanced - Part I: Physical meaning of including a concentration-dependent dielectric constant in the born term and in the Debye-Hückel theory

The transition from aqueous electrolyte systems to non-aqueous electrolyte systems is highly demanded in industrial applications and especially challenging for physics-based thermodynamic models. Electrolyte thermodynamics is a complex matter, and still not all physico-chemical effects are accounted for in state-of-the-art equations of state. The dielectric constant of non-aqueous electrolyte systems changes drastically compared to aqueous systems. One main consequence is that ions are very differently solvated in non-aqueous medium compared to aqueous medium. The Born term represents a methodology to account for the influence of solvation energies of ions, which is based on influences of solvent and salt on the dielectric constant. Utilizing the Born term in electrolyte models is extensively debated, and it is often reasonably neglected in predominantly aqueous systems. Yet, it has a significant influence on transferability from aqueous to non-aqueous media i.e., systems with a large difference in polarity or permittivity compared to aqueous systems. In this work, a modified Born term was combined with electrolyte Perturbed-Chain Statistical Associating Fluid Theory (ePC-SAFT) by introducing additionally a salt concentration-dependent dielectric constant, henceforth called altered Born contribution. The new methodology was validated against infinite dilution properties for ion-solvent interactions: Gibbs energy of hydration and Gibbs energy of transfer of alkali halides from water to alcoholic solvents. Further, mean ionic activity coefficients (MIACs) of alkali halides in alcoholic solvents were quantitatively correct predicted with the advanced ePC-SAFT approach. Original ePC-SAFT parameters were applied for all predictions, and no further binary parameters were adjusted. Based on the success of the model predictions, the transferability of pure-ion ePC-SAFT parameters to organic solvents was verified and the incorporation of concentration-dependent dielectric constant into the altered Born contribution and Debye-Hückel theory was proven to be meaningful methods for the transfer of electrolyte thermodynamic models from aqueous to non-aqueous systems.

Conformation and Diffusivity of Ring and Linear Polyethylene Oxide in Aqueous Solution: Molecular Topology Dependent Concentration Effects and Comparison with Experimental Data

AbstractAtomistic molecular dynamics simulations are performed on aqueous solutions of ring and linear polyethylene oxide (PEO) under good solvent conditions for the investigation of their conformation and diffusion dynamics. The systems simulated span a wide range of molecular weights (from 2 to 10 k) and polymer concentrations. In the limit of infinite dilution, both conformational and dynamic properties appear to be practically molecular topology independent as far as their dependence on chain length and concentration is concerned, and a very favorable agreement is observed with respect to relevant well‐established theoretical predictions, experimental data, and earlier simulation studies. Crossing over to the semidilute regime, molecular topology starts to bear a distinct effect on the observed conformations of the two different molecular geometries. On the other hand, the diffusion dynamics of PEO in the semidilute regime appears to be practically molecular topology independent judging from the dependence of the chain center‐of‐mass diffusivity on chain length and concentration. Indeed, and despite the fact that ring molecules exhibit consistently a faster dynamics than their linear homologs over the entire concentration range simulated, the estimated concentration scalings for both types of architecture are strikingly similar. The findings of this work are compared with scaling arguments and available experimental data.

Measurements of activity coefficients at infinite dilution for organic solutes in two quaternary ammonium-based ionic liquids [DDA][ClO4] and [DDA][BF4

The paper presents new data on the activity coefficient at infinite dilution (γ13∞) for 29 various organic solutes: alkanes, alkenes, al-kynes, cycloalkanes, alcohols, ethers, ketones and aromatic hydrocarbons in two quaternary-ammonium based ionic liquids (quat-based ILs): didecyldimethylammonium perchlorate [DDA][ClO4] and didecyldimethylammonium tetrafluoroborate [DDA][BF4]. The activity coefficient at infinite dilution and physicochemical properties of two mentioned ionic liquids, were determined by inverse gas chromatography at four different temperatures: 308K, 323K, 338K and 353K. Additionally, on the basis of the specific retention volume (Vg0) the Flory – Huggins interaction parameters (χ∞) were determined. In order to identify the fundamental interaction between solute and solvent inside the column, the partial molar excess enthalpies at infinite dilution (ΔH1E,∞) were calculated on the basis of experimental γ13∞ values. The selectivity (Sij∞) and capacity (kj∞) at infinite dilution for a few different separation problems: hexane/benzene, cyclohexane/benzene and hexane/tetrahydrofuran were calculated from the experimental γ13∞ values to evaluate the possible use of the ionic liquids studied as a new class of solvents in liquid-liquid extraction and in other extraction or microextraction methods. The values of the above-mentioned parameters were compared and discussed taking into regard the chemical structures of both quaternary ammonium-based ionic liquids, including the same cation and their interactions with the organic solute.

Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid trihexyl-tetradecyl-phosphonium tricyanomethanide

The activity coefficients at infinite dilution, γ13∞ and gas-liquid partition coefficients, KL for 62 solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, butanal, nitrogen compounds and water in the ionic liquid trihexyl-tetradecyl-phosphonium tricyanamide were determined by gas-liquid chromatography at the temperatures from 328.15 K to 368.15 K. The partial molar excess Gibbs energies ΔG1E,∞, enthalpies ΔH1E,∞ and entropies ΔS1E,∞ at infinite dilution were calculated from the experimental γ13∞ values obtained over the temperature range. The selectivities and capacities at infinite dilution for water/butan-1-ol separation problem were calculated from the γ13∞ and compared to the literature values for other ionic liquids. High selectivity was obtained in comparison to other ionic liquids. Butanol is considered as possible biofuel. This alcohol is produced by fermentation and it must be separated from the aqueous fermentation broth. The values of KL were used to determine the linear free energy relationship (LFER) system constants as a function of temperature. The density of the investigated ionic liquid was also measured at temperatures from 298.15 K to 368.15 K.

Predicting the Solvation of Organic Compounds in Aqueous Environments: From Alkanes and Alcohols to Pharmaceuticals

The development of accurate models to predict the solvation, solubility, and partitioning of nonpolar and amphiphilic compounds in aqueous environments remains an important challenge. We develop state-of-the-art group-interaction models that deliver an accurate description of the thermodynamic properties of alkanes and alcohols in aqueous solution. The group-contribution formulation of the statistical associating fluid theory based on potentials with a variable Mie form (SAFT-γ Mie) is shown to provide accurate predictions of the phase equilibria, including liquid–liquid equilibria, solubility, free energies of solvation, and other infinite-dilution properties. The transferability of the model is further exemplified with predictions of octanol–water partitioning and solubility for a range of organic and pharmaceutically relevant compounds. Our SAFT-γ Mie platform is reliable for the prediction of challenging properties such as mutual solubilities of water and organic compounds which can span over 10 orders of magnitude, while remaining generic in its applicability to a wide range of compounds and thermodynamic conditions. Our work sheds light on contradictory findings related to alkane–water solubility data and the suitability of models that do not account explicitly for polarity.

Analysis of the Protonation Constant (pKa) and Absorption Properties of Non-alkanolamines

The protonation constants (pKa) at infinite dilution and absorption properties of several non-alkanolamines were studied and their properties compared with that of common alkanolamines. The pKa of five amines were determined from 25 to 80°C. The promotor properties of the non-alkanolamines were studied in a mixed amine system with DEEA. The absorption capacity and cyclic capacities of both the single and mixed amine systems were determined.

Understanding ion-ion and ion-solvent interactions in aqueous solutions of NMP based protic ionic liquids through partial molar properties and DFT calculations

The precise and accurate thermophysical properties determination of ionic liquid (IL)-solvent binary system is needed for understanding the molecular interactions occurring between these components. The nature of ion-ion and ion-solvent interactions can be studied either experimentally on the basis of apparent and partial molar properties and corresponding infinite dilution properties or by computational studies. In this regard, we have measured the thermodynamic properties of binary aqueous solutions containing newly synthesized N-methylpyrrolidone based protic ionic liquids (PILs) in the temperature range (288.15–328.15) K and at ambient pressure. Experimentally measured density and speed of sound data have been used to calculate the infinite dilution partial molar properties and the corresponding empirical parameters through the Redlich-Mayer type of equation. It is observed that the studied PILs interacts strongly with water, however the ion-solvent interactions decreases with increase in anionic chain length and increase in temperature. Observed intra-ionic and inter-ionic interactions in studied aqueous ionic liquid mixtures were also supported by Density Functional Theory (DFT) calculations.

Thermal and Volumetric Properties of Some C5 and C6 Alkanones at Infinite Dilution in Water

Precise measurements of excess enthalpies and densities of highly dilute aqueous solutions of five C5–C6 alkanones (namely 2-pentanone, 3-pentanone, 3-methyl-2-butanone, 2-hexanone, and 4-methyl-2-pentanone) were carried out using tandem flow mixing calorimetry and vibrating-tube densimetry. The experimental data obtained in the temperature range from 288.15 to 318.15 K were utilized for the evaluation of limiting partial molar excess enthalpies, partial molar volumes, and partial molar excess volumes of the alkanones in water. Within the temperature range studied, these infinite dilution properties were found to exhibit linear trends. As inferred from respective linear fits, partial molar excess heat capacities, partial molar expansions, and excess partial molar expansions were obtained with a good accuracy. Moreover, hydration enthalpies and heat capacities of the alkanones studied were evaluated, too. The thermodynamic behavior of the alkanone solutes was discussed in terms of molecular interactions an...

Activity coefficients at infinite dilution, physicochemical and thermodynamic properties for organic solutes and water in the ionic liquid ethyl-dimethyl-(2-methoxyethyl)ammonium trifluorotris-(perfluoroethyl)phosphate

New values of activity coefficients at infinite dilution, γ∞ for 65 different solutes including alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, aldehydes, esters and water in the ionic liquid ethyl-dimethyl-(2-methoxyethyl)ammonium trifluorotris(perfluoroethyl)phosphate, were determined using inverse gas chromatography within the temperature range from (318.15 to 368.15)K. This is a continuation our study of ionic liquids based on this anion and 2-hydroxyethyl cation substituent. The experimental γ∞ values were used to calculate thermodynamics functions such as partial molar excess Gibbs energy ΔG1E,∞, enthalpy ΔH1E,∞ and entropy ΔS1E,∞. Additionally the (gas+liquid) partition coefficients of the solutes, KL were calculated and were used to determine the linear Gibbs energy relationship (LFER) system constants as a function of temperature. Values of the selectivity and capacity at infinite dilution for alkanes/thiophene extraction problems were also calculated. Results were compared to ionic liquids investigated previously with the same anion.

Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(3-hydroxypropyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide

The activity coefficients at infinite dilution, γ13∞ and (gas+liquid) partition coefficients, KL for 61 solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, butanal, nitrogen compounds and water in the ionic liquid 4-(3-hydroxy)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide were determined by (gas+liquid) chromatography at the temperatures from (298.15 to 368.15)K. The partial molar excess Gibbs free energies ΔG1E,∞, enthalpies ΔH1E,∞ and entropies ΔS1E,∞ at infinite dilution were calculated from the experimental γ13∞ values obtained over the temperature range. The selectivities and capacities at infinite dilution for selected extraction problems (water/butanol, hexane/benzene, heptane/thiophene) were calculated from the γ13∞ and compared to the literature values for other ionic liquids based on bis(trifluoromethylsulfonyl)-amide anion. The values of KL were used to determine the linear free energy relationship (LFER) system constants as a function of temperature. The density and viscosity of the investigated ionic liquid at temperatures from (298.15 to 368.15)K as well as other physicochemical properties: temperature of fusion and glass transition temperature were also measured.

Activity Coefficients at Infinite Dilution and Physicochemical Properties for Organic Solutes and Water in the Ionic Liquid 1-Ethyl-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate.

New data of activity coefficients at infinite dilution, γ 13∞, for 65 different solutes including alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, aldehydes, esters and water in the ionic liquid 1-ethyl-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate, were determined using inverse gas chromatography within the temperature range from 318.15 to 368.15 K. This is a continuation of our study of ionic liquids based on this anion. The results are compared with the other trifluorotris(perfluoroethyl)phosphate ionic liquids. The γ 13∞ values were used to calculate thermodynamic functions such as partial molar excess Gibbs energies Delta G_{1}^{{{text{E,}}infty }} , enthalpies Delta H_{1}^{{{text{E,}}infty }} and entropies Delta S_{1}^{{{text{E,}}infty }} as well as gas–liquid partition coefficients of the solutes, K L. These values were used to determine the linear free energy relationship (LFER) system constants as a function of temperature. The selectivities at infinite dilution needed for some extraction problems were calculated and compared with literature data of ionic liquids based on the trifluorotris(perfluoroethyl)phosphate anion and the 1-ethyl-3-methylimidazolium cation. Additionally, the density and viscosity of the investigated ionic liquid at temperatures from 298.15 to 348.15 K were measured.Electronic supplementary materialThe online version of this article (doi:10.1007/s10953-014-0274-0) contains supplementary material, which is available to authorized users.

Temperature dependence of limiting activity coefficients, Henry's law constants, and related infinite dilution properties of C4–C6 isomeric n-alkyl ethanoates/ethyl n-alkanoates in water. Measurement, critical compilation, correlation, and recommended data

Infinite dilution activity coefficients (γ1∞) of C4–C6 isomeric n-alkyl ethanoates/ethyl alkanoates, namely ethyl ethanoate, propyl ethanoate, ethyl propanoate, butyl ethanoate, ethyl butanoate in water were measured at several temperatures in the range from (273 to 361)K. Most measurements were carried out by the inert gas stripping method, although other three headspace gas chromatography techniques were also employed. A comprehensive critical review is further presented of literature data on γ1∞, infinite dilution partial molar excess enthalpies (H¯1E,∞) and heat capacities (C¯p,1E,∞) of these aqueous solutes. For each ester, the data measured in this work together with those reported previously in the literature were correlated with a suitable model equation providing adequate simultaneous description of the equilibrium measurements and the calorimetric information. As a result, a recommended temperature dependence of γ1∞ of superior accuracy was established. The consistency of recommended γ1∞(T) with literature data on mutual solubilities of esters and water was also demonstrated. Analogous recommendations were derived also for the temperature dependence of Henry's law constants (KH). The variation with temperature and ester molecular structure of γ1∞, KH, and related energetic functions of ester dissolution and hydration was overviewed and briefly discussed. Furthermore, the performance of five predictive approaches to estimate γ1∞(T) of the aqueous esters was tested.

Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-hydroxyethyl)-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate

This work presents new data of activity coefficients at infinite dilution, γ∞ of different organic solutes and water in the 1-(2-hydroxyethyl)-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate, [C2OHmim][FAP] ionic liquid. Values of γ∞ were determined for 65 organic solutes, including alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, 1-nitropropane, aldehydes, acetonitrile and water by inverse gas chromatography within the temperature range from (318.15 to 368.15)K. The basic thermodynamic functions, such as partial molar excess Gibbs energies, ΔG1E,∞, enthalpies, ΔH1E,∞ and entropies, ΔS1E,∞ at infinite dilution were calculated from the experimental γ∞ values obtained over the temperature range. Additionally the gas–liquid partition coefficients, KL were determined. Experimental values of gas–liquid partition coefficients were used to determine the coefficients in the Abraham solvation parameter model (LFER). Results are compared to previously investigated ionic liquids with the same [C2OHmim]+ cation and [FAP]− anion. The selectivity and capacity at infinite dilution for alkanes/thiophene extraction problems were calculated from experimental γ∞ values to verify the possibility of investigated ionic liquid as an entrainer in liquid–liquid extraction.

Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpyrrolidinium trifluorotris(perfluoroethyl)phosphate

This work presents new data of activity coefficients at infinite dilution, γ∞ of different organic solutes and water in the 1-(2-methoxyethyl)-1-methylpyrrolidinium trifluorotris(perfluoroethyl)phosphate ionic liquid. Values of γ∞ were determined for 62 solutes, including alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, 1-nitropropane, butanal, acetonitrile and water by inverse gas chromatography over the temperature range from (318.15 to 368.15)K. The basic thermodynamic functions, namely partial molar excess Gibbs energies, ΔG1E,∞, enthalpies, ΔH1E,∞ and entropies, ΔS1E,∞ at infinite dilution were calculated from the experimental γ∞ values obtained over the temperature range. Additionally the gas–liquid partition coefficients, KL were determined. Experimental values of gas–liquid partition coefficients were used to determine the coefficients in the Abraham solvation parameter model (LFER). Results are compared to previously investigated ionic liquids with the same cations or anions. The selectivities and capacities at infinite dilution for alkanes/thiophene extraction problems were calculated from experimental γ∞ values to verify the possibility of investigated ionic liquid as an entrainer in liquid–liquid extraction.

Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate

This work is continuation of our systematic study of activity coefficients at infinite dilution, γ∞ of different organic solutes and water in the ionic liquids. New data of γ∞ were determined for 62 solutes, including alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, 1-nitropropane, butanal, acetonitrile, and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate by inverse gas chromatography at the temperature range from (318.15 to 368.15)K. The basic thermodynamic functions, namely partial molar excess Gibbs free energies, ΔG1E,∞, enthalpies, ΔH1E,∞ and entropies, ΔS1E,∞ at infinite dilution were calculated from the experimental γ∞ values obtained over the temperature range. Additionally the gas–liquid partition coefficients, KL were determined. Results are compared to previously investigated ionic liquids with the same cations or anions. Values of the selectivity and capacity at infinite dilution for heptane/benzene, heptane/thiophene, and heptane/methanol extraction problems were calculated from experimental γ∞ values to verify the possibility of investigated ionic liquid as an entrainer in liquid–liquid extraction.

Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate

This paper presents new data on activity coefficients at infinite dilution, γ∞ for 62 different solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate, [COC2mMOR][FAP]. The data were determined by inverse gas chromatography at six temperatures from T=318.15K to T=368.15K. These values were compared with ionic liquid based on the same cation and bis(trifluoromethylsulfonyl)-amide anion, [COC2mMOR][NTf2]. Additionally the partial molar excess Gibbs free energies ΔG1E,∞, enthalpies ΔH1E,∞, and entropies ΔS1E,∞ at infinite dilution were calculated from the experimental γ∞ values obtained over the temperatures range. The selectivities and capacities at infinite dilution for hexane/benzene, cyclohexane/benzene, and heptane/thiophene extraction problems were calculated from the γ∞ to verify the possibility of investigated ionic liquid as an entrainer in liquid–liquid extraction and desulphurization of fuels. Obtained values were compared with literature data of other ionic liquids based on trifluorotris(perfluoroethyl)phosphate and bis(trifluoromethylsulfonyl)-amide anions and industrial solvents: NMP and sulfolane. Also the Abraham solvation parameter model was used for evaluation of the solvation characteristic of the ionic liquid. Linear free energy relationship (LFER) system constants as a function of temperature were calculated.

Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)-amide

The activity coefficients at infinite dilution, γ∞, gas–liquid partition coefficients, KL, the partial molar excess Gibbs free energy ΔG1E,∞, enthalpy ΔH1E,∞ and entropy ΔS1E,∞ at infinite dilution for 61 organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)-amide were determined by inverse gas chromatography at the temperatures from (318.15 to 368.15)K. The values of the selectivity for selected compounds which form azeotropic mixtures were calculated from the γ∞ and compared to the literature values for other ionic liquids based on bis(trifluoromethylsulfonyl)-amide anion.

Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)-amide

The activity coefficients at infinite dilution, γ∞ and gas–liquid partition coefficients, KL for 61 solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, 1-nitropropane, butanal, acetonitrile, and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)-amide were determined by inverse gas chromatography at the temperatures from (318.15 to 368.15)K. The partial molar excess Gibbs free energies ΔG1E,∞, enthalpies ΔH1E,∞ and entropies ΔS1E,∞ at infinite dilution were calculated from the experimental γ∞ values obtained over the temperature range. The selectivities for selected compounds, which form azeotropic mixtures, were calculated from the γ∞ and compared to the literature values for other ionic liquids based on bis(trifluoromethylsulfonyl)-amide anion.

Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide

The activity coefficients at infinite dilution, γ 13 ∞ and gas–liquid partition coefficients, K L for 62 solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, 1-nitropropane, butanal, acetonitrile, acetic acid and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide were determined by gas–liquid chromatography at the temperatures from (318.15 to 368.15) K. The partial molar excess Gibbs free energies Δ G 1 E, ∞ , enthalpies Δ H 1 E, ∞ and entropies Δ S 1 E, ∞ at infinite dilution were calculated from the experimental γ 13 ∞ values obtained over the temperature range. The selectivities for selected compounds which form azeotropic mixtures were calculated from the γ 13 ∞ and compared to the literature values for other ionic liquids based on bis(trifluoromethylsulfonyl)-amide anion.