Abraham model correlations for solute transfer into 2-methoxyethanol from water and from the gas phase

Hart, Erin; Grover, Damini; Zettl, Heidi; Koshevarova, Victoria; Zhang, Shoshana; Dai, Colleen; Acree, William E.; Sedov, Igor A.; Stolov, Mikhail; Abraham, Michael H.

doi:10.1016/j.molliq.2015.05.064

Cited by 40 publications

(4 citation statements)

References 47 publications

(88 reference statements)

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“…1 (E, S, A, B, V, J + and J − ) are properties or descriptors of the solutes and the coefficients (c, e, s, a, b, v, j + and j − ) are the complementary properties of the solvent system. Solute and solvent properties have been described in detail in earlier publications [13][14][15][16][17][18][19][20][21], there are several reviews on our method [22][23][24], and a number of applications [25][26][27] and so only an outline will be given here. E is the solute excess molar refraction in cm 3 ·mol −1 /10, S is a measure of the solute polarity/polarizability, A and B refer to the hydrogen bond acidity and hydrogen bond basicity of the solute, and V is McGowan's characteristic molecular volume of the solute in cm 3 ·mol −1 /100 [28].…”

Section: Methodsmentioning

confidence: 99%

Limiting Diffusion Coefficients for Ions and Nonelectrolytes in Solvents Water, Methanol, Ethanol, Propan-1-ol, Butan-1-ol, Octan-1-ol, Propanone and Acetonitrile at 298 K, Analyzed Using Abraham Descriptors

Abraham

Acree

2019

J Solution Chem

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We have used literature data on the conductivity of single ions to obtain limiting diffusion coefficients (D o ) of ions in water, alcohols, propanone and acetonitrile. We then used literature data on limiting diffusion coefficients of nonelectrolytes in order to set up linear free energy relationships that combine data for ions and nonelectrolytes, as log 10 (D o ) in the same equation, all values being at 298 K. These equations are for solvents water (N = 377, SD = 0.0474), methanol (N = 96, SD = 0.0332), ethanol (N = 96, SD = 0.0666), propan-1-ol (N = 71, SD = 0.0487), butan-1-ol (N = 53, SD = 0.0600), octan-1-ol (N = 61, SD = 0.0684), propanone (N = 86, SD = 0.0366) and acetonitrile (N = 74, SD = 0.0438) where N is the number of data points, that is ions plus nonelectrolytes, and SD is the standard deviation in log 10 (D o ). It is shown that solute hydrogen bond acidity, solute hydrogen bond basicity and solute volume all lower the diffusion constants of ions and nonelectrolytes in the various solvents studied.

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Section: Methodsmentioning

confidence: 99%

Limiting Diffusion Coefficients for Ions and Nonelectrolytes in Solvents Water, Methanol, Ethanol, Propan-1-ol, Butan-1-ol, Octan-1-ol, Propanone and Acetonitrile at 298 K, Analyzed Using Abraham Descriptors

Abraham

Acree

2019

J Solution Chem

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“…Specific solvents studied in the past five years include diisopropyl ether [8], 2hexadecene [9,10], 1,9-decadiene [9,10], benzonitrile [2], 2-methoxyethanol [11], 2ethoxyethanol [12], 2-butoxyethanol [13], 1,2-propylene glycol [14], acetophenone [15], aniline [15] and acetic acid [16]. All of the solvents listed above contain a single type of functional group attached to either an alkyl chain or aromatic benzene ring, except for the three 2alkoxyalcohols.…”

Section: Log (P or C Sorganic /C Swater ) = C P + E P • E + S P • Smentioning

confidence: 99%

Development of Abraham model correlations for solute transfer into both 2-propoxyethanol and 2-isopropoxyethanol at 298.15 K

Sedov

Khaibrakhmanova

Hart

et al. 2015

Journal of Molecular Liquids

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Infinite dilution activity coefficients (γ ∞) were measured at 298 K for 9 different aliphatic hydrocarbons (alkanes, cycloalkanes, alkenes), 7 different aromatic compounds (benzene, alkylbenzenes, halobenzenes), and for 1,2-dichloropropane, dichloromethane, acetone, acetonitrile, tetrahydrofuran, 1,4-dioxane and 2-propanol dissolved in both 2-propoxyethanol and 2-isopropoxyethanol at 298 K using a headspace gas chromatographic method. As part of the experimental study solubilities of 18 and 20 crystalline organic nonelectrolyte solutes were determined in 2-propoxyethanol and 2-isopropoxyethanol, respectively, at 298 K using a uv/visible spectrophotometric method. The experimental values were converted to gas-toalkoxyethanol, water-to-alkoxyethanol partition coefficients, and molar solubility ratios using standard thermodynamic relationships. Abraham model correlations for solute transfer into both alkoxyethanols were derived from the calculated solubility ratios and partition coefficients. The

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“…Our contribution in the area of solvent replacement has been to characterize the solubilizing properties of more than 100 different organic solvents [9][10][11][12][13][14], binary aqueousmethanol [15] and aqueous-ethanol solvent mixtures [16,17], and 70 different ionic liquids [18] through experimental measurements and developing mathematical expressions that correlate the molar solubility, and both gas-to-organic solvent and water-to-organic solvent partition coefficients of dissolved solutes. Solubilization is an important consideration in selecting an appropriate solvent for chemical extractions and recrystallization methods.…”

Section: Introductionmentioning

confidence: 99%

Abraham Model Correlations for Triethylene Glycol Solvent Derived from Infinite Dilution Activity Coefficient, Partition Coefficient and Solubility Data Measured at 298.15 K

et al. 2017

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A gas chromatographic headspace analysis method was used to experimentally determine gas-toliquid partition coefficients and infinite dilution activity coefficients for 29 liquid organic solutes dissolved in triethylene glycol at 298.15 K. Solubilities were also determined at 298.15 K for 23 crystalline nonelectrolyte organic compounds in triethylene glycol based on spectroscopic absorbance measurements. The experimental results of the headspace chromatographic and spectroscopic solubility measurements were converted to gas-to-triethylene glycol and water-totriethylene glycol partition coefficients, and molar solubility ratios using standard thermodynamic relationships. Expressions were derived for solute transfer into triethylene glycol by combining our measured experimental values with published literature data. Mathematical correlations based on the Abraham model describe the observed partition coefficient and solubility data to within 0.16 log10 units (or less).

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Abraham model correlations for solute transfer into 2-methoxyethanol from water and from the gas phase

Cited by 40 publications

References 47 publications

Limiting Diffusion Coefficients for Ions and Nonelectrolytes in Solvents Water, Methanol, Ethanol, Propan-1-ol, Butan-1-ol, Octan-1-ol, Propanone and Acetonitrile at 298 K, Analyzed Using Abraham Descriptors

Limiting Diffusion Coefficients for Ions and Nonelectrolytes in Solvents Water, Methanol, Ethanol, Propan-1-ol, Butan-1-ol, Octan-1-ol, Propanone and Acetonitrile at 298 K, Analyzed Using Abraham Descriptors

Development of Abraham model correlations for solute transfer into both 2-propoxyethanol and 2-isopropoxyethanol at 298.15 K

Abraham Model Correlations for Triethylene Glycol Solvent Derived from Infinite Dilution Activity Coefficient, Partition Coefficient and Solubility Data Measured at 298.15 K

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