Practical Determination of the Solubility Parameters of 1-Alkyl-3-methylimidazolium Bromide ([CnC1im]Br, n = 5, 6, 7, 8) Ionic Liquids by Inverse Gas Chromatography and the Hansen Solubility Parameter

Abstract

The physicochemical properties of four 1-alkyl-3-methylimidazolium bromide ([CnC1im]Br, n = 5, 6, 7, 8) ionic liquids (ILs) were investigated in this work by using inverse gas chromatography (IGC) from 303.15 K to 343.15 K. Twenty-eight organic solvents were used to obtain the physicochemical properties between each IL and solvent via the IGC method, including the specific retention volume and the Flory–Huggins interaction parameter. The Hildebrand solubility parameters of the four [CnC1im]Br ILs were determined by linear extrapolation to be δ 2 ( [ C 5 C 1 im ] Br ) = 25.78 (J·cm−3)0.5, δ 2 ( [ C 6 C 1 im ] Br ) = 25.38 (J·cm−3)0.5, δ 2 ( [ C 7 C 1 im ] Br ) =24.78 (J·cm−3)0.5 and δ 2 ( [ C 8 C 1 im ] Br ) = 24.23 (J·cm−3)0.5 at room temperature (298.15 K). At the same time, the Hansen solubility parameters of the four [CnC1im]Br ILs were simulated by using the Hansen Solubility Parameter in Practice (HSPiP) at room temperature (298.15 K). The results were as follows: δ t ( [ C 5 C 1 im ] Br ) = 25.86 (J·cm−3)0.5, δ t ( [ C 6 C 1 im ] Br ) = 25.39 (J·cm−3)0.5, δ t ( [ C 7 C 1 im ] Br ) = 24.81 (J·cm−3)0.5 and δ t ( [ C 8 C 1 im ] Br ) = 24.33 (J·cm−3)0.5. These values were slightly higher than those obtained by the IGC method, but they only exhibited small errors, covering a range of 0.01 to 0.1 (J·cm−3)0.5. In addition, the miscibility between the IL and the probe was evaluated by IGC, and it exhibited a basic agreement with the HSPiP. This study confirms that the combination of the two methods can accurately calculate solubility parameters and select solvents.

Solubility, Hansen Solubility Parameters and Thermodynamic Behavior of Emtricitabine in Various (Polyethylene Glycol-400 + Water) Mixtures: Computational Modeling and Thermodynamics

“…The HSP of solute is associated with its solubility in pure solvent or cosolvent-water mixtures. If the HSP of solute is closed with that of pure solvent or cosolvent-water mixtures, the solubility of solute will be higher in that pure solvent or cosolvent-water mixture [36]. Hence, HSP for ECT, pure PEG-400, pure water and various "PEG-400 + water" mixtures free of ECT were computed in this study.…”

Solubility Data of the Bioactive Compound Piperine in (Transcutol + Water) Mixtures: Computational Modeling, Hansen Solubility Parameters and Mixing Thermodynamic Parameters

“…Therefore, HSPs for PPN, pure THP, pure water and various “THP + water” mixtures free of PPN were computed in this research. The δ value for PPN, pure THP and pure water was computed by applying Equation (3) [ 49 , 51 , 52 ] as follows: in which “ δ = total HSP; δ d = dispersion HSP; δ p = polar HSP and δ h = hydrogen-bonded HSP”. The HSPs for PPN, pure THP and pure water were estimated using “HSPiP software (version 4.1.07, Louisville, KY, USA)” [ 51 ].…”

“…If the solubility parameter of the solute is close to that of pure solvents or cosolvent mixtures, the solubility of solute will be higher in that particular pure solvent or cosolvent mixtures [51]. Therefore, HSPs for PPN, pure THP, pure water and various "THP + water" mixtures free of PPN were computed in this research.…”

“…Therefore, HSPs for PPN, pure THP, pure water and various "THP + water" mixtures free of PPN were computed in this research. The δ value for PPN, pure THP and pure water was computed by applying Equation (3) [49,51,52] as follows:…”

“…in which "δ = total HSP; δ d = dispersion HSP; δ p = polar HSP and δ h = hydrogen-bonded HSP". The HSPs for PPN, pure THP and pure water were estimated using "HSPiP software (version 4.1.07, Louisville, KY, USA)" [51]. The HSPs of various "THP + water" mixtures free of PPN (δ mix ) were calculated using Equation (4) [26,53] as follows:…”