Descriptors for fluorotelomere alcohols. Calculation of physicochemical properties

Reference

• Nilsson H, Karrman A, Rotander A, et al. Inhalation exposure to fluorotelomer alcohols yield perfluorocarboxylates in human blood? Environ Sci Technol. 2010;44(19):7717–7722.
   PubMed Web of Science ®Google Scholar
• Goss K-U, Bronner G, Harner T, et al. The partition behaviours of fluorotelomer alcohols and Olefins. Environ Sci Technol. 2006;40(11):3572–3577.
   PubMed Web of Science ®Google Scholar
• Endo S, Goss K-U. Predicting partition coefficients of polyfluorinated and organosilicon compounds using polyparameter linear free energy relationships (PP-LFERs). Environ Sci Technol. 2014;48(5):2776–2784.
   PubMed Web of Science ®Google Scholar
• Abraham MH. Scales of solute hydrogen-bonding: their construction and application to physicochemical and biochemical processes. Chemical Society Reviews. 1993;22(2):73–83.
   Web of Science ®Google Scholar
• Abraham MH, McGowan JC. The use of characteristic volumes to measure cavity terms in reversed phase liquid chromatography. Chromatographia. 1987;23(4):243–246.
   Web of Science ®Google Scholar
• Abraham MH, Ibrahim A, Zissimos AM. The determination of sets of solute descriptors from chromatographic measurements. J Chromatogr A. 2004;1037(1–2):29–47.
   PubMed Web of Science ®Google Scholar
• Abraham MH, Acree WE Jr., Hoekman DAJ, et al. A new method for the determination of Henry’s law constants (air-water-partition coefficients). Fluid Phase Equilib. 2019;502:112300/1-112300/10.
   Web of Science ®Google Scholar
• Poole CF, AtapattuSN SN, PooleSK SK, et al. Determination of solute descriptors by chromatographic methods. Anal Chim Acta. 2009;652(1–2):32–53. .
   PubMed Web of Science ®Google Scholar
• Clarke ED, Mallon L. The determination of abraham descriptors and their application to crop protection research. In: Jeschke P, Krämer W, Schirmer U, et al., editors. In modern methods in crop protection research. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co.; 2012:  273–305.
   Google Scholar
• Abraham MH, Le J, Acree WE, et al. The solubility of gases and vapours in dry octan-1-ol at 298 K. Chemosphere. 2001;44(4):855–863. .
   PubMed Web of Science ®Google Scholar
• Abraham MH, Acree WE Jr. Estimation of vapor pressures of liquid and solid organic and organmetallic compounds at 298.15 K. Fluid Phase Equilibr. 2020; 519: 112595/1–112595/5
   Google Scholar
• Carmosini N, Lee LS. Partitioning of fluorotelomer alcohols to octanol and different sources of dissolved organic carbon. Environ Sci Technol. 2008;42(17):6559–6565.
   PubMed Web of Science ®Google Scholar
• Kaiser MA, Cobranchi DP, Kao C-P, et al. Physicochemical properties of 8-2 fluorinated Telomer B Alcohol. J Chem Eng Data. 2004;49(4):912–916. .
   Web of Science ®Google Scholar
• Arp HPH, Niederer C, Goss K-U. Predicting the partitioning behavior of various highly fluorinated compounds. Environ Sci Technol. 2006;40(23):7298–7304.
   PubMed Web of Science ®Google Scholar
• Stock NL, Ellis DA, Deleebeeck L, et al. Vapor pressures of the fluorinated telomere alcohols – limitations of estimation methods. Environ Sci Technol. 2004;38:1693–1699.
   PubMed Web of Science ®Google Scholar
• Cobranchi DP, Botelho M, BuxtonButon W, et al. Vapor pressure determinations of 8-2 fluorortelomer alcohol and 1-H perfluorooctane by capillary gas chromatography. J Chromatogr A. 2006;1108(2):248–251. .
   PubMed Web of Science ®Google Scholar
• Krusic PJ, Marchione AA, Davidson F, et al. Vapor pressure and intramolecular hydrogen bonding in fluorotelomer alcohols. J Phys Chem A. 2005;109(28):6232–6241. .
   PubMed Web of Science ®Google Scholar
• Lei YD, Wania F, Mathers D, et al. determination of vapor pressures, octanol−air, and water−air partition coefficients for polyfluorinated sulfonamide, sulfonamidoethanols, and telomer alcohols. J Chem Eng Data. 2004;49(4):1013–1022. .
   Web of Science ®Google Scholar
• Thuens S, Dreyer A, Sturm R, et al. Determination of the octanol−air partition coefficients (KOA) of fluorotelomer alcohols. J Chem Eng Data. 2008;53(1):223–227. .
   Web of Science ®Google Scholar
• Wu Y, Chang W-C. The effect of surface adsorption and molecular geometry on the determination of Henry’s Law constants for fluorotelomer alcohols. J Chem Eng Data. 2011;56(8):3442–3448.
   Web of Science ®Google Scholar
• Liu J, Lee LS. Effect of fluorotelomer alcohol chain length on aqueous solubility and sorption by soils. Environ Sci Technol. 2007;41(15):5357–5362.
   PubMed Web of Science ®Google Scholar
• Abraham MH, Smith RE, Luchtefeld R, et al. Prediction of solubility of drugs and other compounds in organic solvents. J Pharm Sci. 2010;99(3):1500–1515. .
   PubMed Web of Science ®Google Scholar
• Abraham MH, Acree WE Jr. Gas-solvent and water-solvent partition of trans -stilbene at 298 K. J Mol Liq. 2017;238(58):58–61.
   PubMed Web of Science ®Google Scholar
• Hart E, Klein A, Barrera M, et al. Development of Abraham model correlations for describing the transfer of molecular solutes into propanenitrile and butanenitrile from water and from the gas phase. Phys Chem Liq. 2018;56(6):821–833. .
   Web of Science ®Google Scholar
• Jiang B, Horton MY, Acree WE Jr, et al. Ion-specific equation coefficient version of the Abraham model for ionic liquid solvents: determination of coefficients for tributylethylphosphonium, 1-butyl-1-methylmorpholinium, 1-allyl-3-methylimidazolium and octyltriethylammonium cations. Phys Chem Liq. 2017;55:358–385.
   Web of Science ®Google Scholar
• Mutelet F, Baker GA, Ravula S, et al. Infinite dilution activity coefficients and gas-to-liquid partition coefficients of organic solutes dissolved in 1-sec-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and in 1-tert-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide. Phys Chem Liq. 2019;57:453–472.
   Web of Science ®Google Scholar
• Churchill B, Acree WE, Abraham MH. Abraham model correlation for direct water-to-2,2,5,5-tetramethyloxolane solute transfer partitioning process revisited. Phys Chem Liq. 2020;58(6):833–838.
   Web of Science ®Google Scholar
• Smart K, Garcia E, Oloyede B, et al. The partition of organic compounds from water into the methyl isobutyl ketone extraction solvent with updated Abraham model equation. Phys Chem Liq. 2021. Ahead of Print. DOI:https://doi.org/10.1080/00319104.2020.1732375.
   Web of Science ®Google Scholar
• Churchill B, Acree WE Jr., Abraham MH. Development of Abraham model expressions for predicting the standard molar enthalpies of vaporization of organic compounds at 298.15 K. Thermochim Acta. 2019;681:178372/1-178372/6.
   Web of Science ®Google Scholar
• Abraham MH, Acree WE Jr. Estimation of enthalpies of sublimation of organic, organometallic and inorganic compounds. Fluid Phase Equilibr. 2020:515;11275/1-112575/5.
   Web of Science ®Google Scholar
• Abraham MH, Acree WE Jr., Zissimos AM. The correlation and prediction of infinite dilution activity coefficients of compounds in water at 298.15 K. Fluid Phase Equilib. 2017;449:117–129.
   Web of Science ®Google Scholar
• AbrahamMH MH, AcreeWE WE Jr. The correlation and prediction of the temperature variation of infinite dilution activity coefficients of compounds in water. Fluid Phase Equilib. 2018;455:1–5.
   Web of Science ®Google Scholar
• Abraham MH, Acree WE Jr. Estimation of heat capacities of gases, liquids and solids, and heat capacities of vaporization and of sublimation of organic chemicals at 298.15 K. J Mol Liq. 2020;317:113969/1-113969/4.
   Web of Science ®Google Scholar
• Huang J, Eddula S, Tirumala P, et al. Updated Abraham model correlations to describe enthalpies of solvation of solutes dissolved in heptane, cyclohexane and N,N-dimethylformamide. Phys Chem Liq. 2020;1–12. Ahead of Print. doi:https://doi.org/10.1080/00319104.2020.1732376
   Web of Science ®Google Scholar
• Lu JZ, Acree WE Jr., Abraham MH. Abraham model correlations for enthalpies of solvation of organic solutes dissolved in N,N-Dimethylacetamide, 2-butanone and tetrahydrofuran (UPDATED) at 298.15 K. Phys Chem Liq. 2020;58(5):675–692.
   Web of Science ®Google Scholar
• Lu JZ, Acree WE Jr., Abraham MH. Abraham model correlations for enthalpies of solvation of organic solutes dissolved in methyl acetate and octane. Phys Chem Liq. 2020;58(1):18–30.
   Web of Science ®Google Scholar
• Lu JZ, Acree WE Jr, Abraham MH. Updated Abraham model correlations for enthalpies of solvation of organic solutes dissolved in benzene and acetonitrile. Phys Chem Liq. 2019;57(1):84–99.
   Web of Science ®Google Scholar