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Volumn 84, Issue 4, 2011, Pages 415-422

Aqueous solubility, effects of salts on aqueous solubility, and partitioning behavior of hexafluorobenzene: Experimental results and COSMO-RS predictions

Author keywords

Aqueous solubility; COSMO RS; Hexafluorobenzene; Hofmeister series; Salt effects; Setschenow constant

Indexed keywords

AIR; FORECASTING;

EID: 79958712129     PISSN: 00456535     EISSN: 18791298     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2011.03.055     Document Type: Article
Times cited : (19)

References (40)
  • 1
    • 79958699166 scopus 로고    scopus 로고
    • ALOGPS 2.1, Virtual Computational Chemistry Laboratory.
    • ALOGPS 2.1, 2005. Virtual Computational Chemistry Laboratory. http://www.vcclab.org.
    • (2005)
  • 2
    • 84941944738 scopus 로고    scopus 로고
    • A solid-state fluorine-NMR study on hexafluorobenzene sorbed by sediments, polymers, and active carbon
    • Cornelissen G., Van Noort P.C.M., Nachtegaal G., Kentgens A.P.M. A solid-state fluorine-NMR study on hexafluorobenzene sorbed by sediments, polymers, and active carbon. Environ. Sci. Technol. 2000, 34:645-649.
    • (2000) Environ. Sci. Technol. , vol.34 , pp. 645-649
    • Cornelissen, G.1    Van Noort, P.C.M.2    Nachtegaal, G.3    Kentgens, A.P.M.4
  • 3
    • 79958742845 scopus 로고    scopus 로고
    • DIADEM Public v1.2, DIPPR Information and Data Evaluation Manager
    • DIADEM Public v1.2, DIPPR Information and Data Evaluation Manager, 2000.
    • (2000)
  • 7
    • 79958746155 scopus 로고    scopus 로고
    • EPI Suite, US EPA, Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA.
    • EPI Suite, US EPA, 2010. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA.
    • (2010)
  • 11
    • 79958716748 scopus 로고
    • Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Professional Reference Book, American Chemical Society, Washington, DC.
    • Hansch, C., Leo, A., Hoekman, D., 1995. Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Professional Reference Book, American Chemical Society, Washington, DC.
    • (1995)
    • Hansch, C.1    Leo, A.2    Hoekman, D.3
  • 13
    • 0041977172 scopus 로고    scopus 로고
    • Prediction of the vapor pressure, boiling point, heat of vaporization and diffusion coefficient of organic compounds
    • Hilal S.H., Karickhoff S.W., Carreira L.A. Prediction of the vapor pressure, boiling point, heat of vaporization and diffusion coefficient of organic compounds. QSAR Comb. Sci. 2003, 22:565-574.
    • (2003) QSAR Comb. Sci. , vol.22 , pp. 565-574
    • Hilal, S.H.1    Karickhoff, S.W.2    Carreira, L.A.3
  • 14
    • 9744242745 scopus 로고    scopus 로고
    • Prediction of the solubility, activity coefficient and liquid/liquid partition coefficient of organic compounds
    • Hilal S.H., Karickhoff S.W., Carreira L.A. Prediction of the solubility, activity coefficient and liquid/liquid partition coefficient of organic compounds. QSAR Comb. Sci. 2004, 23:709-720.
    • (2004) QSAR Comb. Sci. , vol.23 , pp. 709-720
    • Hilal, S.H.1    Karickhoff, S.W.2    Carreira, L.A.3
  • 16
    • 33751157086 scopus 로고
    • Conductor-like screening model for real solvents: a new approach to the quantitative calculation of solvation phenomena
    • Klamt A. Conductor-like screening model for real solvents: a new approach to the quantitative calculation of solvation phenomena. J. Phys. Chem. 1995, 99:2224-2235.
    • (1995) J. Phys. Chem. , vol.99 , pp. 2224-2235
    • Klamt, A.1
  • 17
    • 0038030978 scopus 로고    scopus 로고
    • Prediction of the mutual solubilities of hydrocarbons and water with COSMO-RS
    • Klamt A. Prediction of the mutual solubilities of hydrocarbons and water with COSMO-RS. Fluid Phase Equilib. 2003, 206:223-235.
    • (2003) Fluid Phase Equilib. , vol.206 , pp. 223-235
    • Klamt, A.1
  • 18
    • 0034725477 scopus 로고    scopus 로고
    • COSMO-RS: a novel and efficient method for the a priori prediction of thermophysical data of liquids
    • Klamt A., Eckert F. COSMO-RS: a novel and efficient method for the a priori prediction of thermophysical data of liquids. Fluid Phase Equilib. 2000, 172:43-72.
    • (2000) Fluid Phase Equilib. , vol.172 , pp. 43-72
    • Klamt, A.1    Eckert, F.2
  • 19
    • 0036889159 scopus 로고    scopus 로고
    • Prediction of soil sorption coefficients with a conductor-like screening model for real solvents
    • Klamt A., Eckert F., Diedenhofen M. Prediction of soil sorption coefficients with a conductor-like screening model for real solvents. Environ. Toxicol. Chem. 2002, 21:2562-2566.
    • (2002) Environ. Toxicol. Chem. , vol.21 , pp. 2562-2566
    • Klamt, A.1    Eckert, F.2    Diedenhofen, M.3
  • 20
    • 77953586513 scopus 로고    scopus 로고
    • COSMO-RS: an alternative to simulation for calculating thermodynamic properties of liquid mixtures
    • Klamt A., Eckert F., Arlt W. COSMO-RS: an alternative to simulation for calculating thermodynamic properties of liquid mixtures. Annu. Rev. Chem. Biomol. Eng. 2010, 1:101-122.
    • (2010) Annu. Rev. Chem. Biomol. Eng. , vol.1 , pp. 101-122
    • Klamt, A.1    Eckert, F.2    Arlt, W.3
  • 21
    • 33750162261 scopus 로고
    • Activity coefficient of nonelectrolyte solutes in aqueous salt solutions
    • Long F.A., McDevit W.F. Activity coefficient of nonelectrolyte solutes in aqueous salt solutions. Chem. Rev. 1952, 51:119-169.
    • (1952) Chem. Rev. , vol.51 , pp. 119-169
    • Long, F.A.1    McDevit, W.F.2
  • 24
    • 0030250091 scopus 로고    scopus 로고
    • Evaluating the environmental fate of a variety of types of chemicals using the EQC model
    • Mackay D., Di Guardo A., Paterson S., Cowan C.E. Evaluating the environmental fate of a variety of types of chemicals using the EQC model. Environ. Toxicol. Chem. 1996, 15:1627-1637.
    • (1996) Environ. Toxicol. Chem. , vol.15 , pp. 1627-1637
    • Mackay, D.1    Di Guardo, A.2    Paterson, S.3    Cowan, C.E.4
  • 26
    • 33947454326 scopus 로고
    • The activity coefficient of benzene in aqueous salt solutions
    • McDevit W.F., Long F.A. The activity coefficient of benzene in aqueous salt solutions. J. Am. Chem. Soc. 1952, 74:1773-1777.
    • (1952) J. Am. Chem. Soc. , vol.74 , pp. 1773-1777
    • McDevit, W.F.1    Long, F.A.2
  • 27
    • 0028981879 scopus 로고
    • Influence of salinity upon sediment-water partitioning of aromatic hydrocarbons
    • Means J.C. Influence of salinity upon sediment-water partitioning of aromatic hydrocarbons. Mar. Chem. 1995, 51:3-16.
    • (1995) Mar. Chem. , vol.51 , pp. 3-16
    • Means, J.C.1
  • 28
    • 39749156553 scopus 로고    scopus 로고
    • Effect of ortho-chlorine substitution on the partition behavior of chlorophenols
    • Niederer C., Goss K.-U. Effect of ortho-chlorine substitution on the partition behavior of chlorophenols. Chemosphere 2008, 71:697-702.
    • (2008) Chemosphere , vol.71 , pp. 697-702
    • Niederer, C.1    Goss, K.-U.2
  • 29
    • 2642578411 scopus 로고    scopus 로고
    • The effect of temperature and inorganic salts on aqueous solubility of selected chlorobenzenes
    • Oleszek-Kudlak S., Shibata E., Nakamura T. The effect of temperature and inorganic salts on aqueous solubility of selected chlorobenzenes. J. Chem. Eng. Data 2004, 49:570-575.
    • (2004) J. Chem. Eng. Data , vol.49 , pp. 570-575
    • Oleszek-Kudlak, S.1    Shibata, E.2    Nakamura, T.3
  • 30
    • 18844425761 scopus 로고    scopus 로고
    • Application of the conductor-like screening model for real solvents for prediction of the aqueous solubility of chlorobenzenes depending on temperature and salinity
    • Oleszek-Kudlak S., Grabda M., Shibata E., Eckert F., Nakamura T. Application of the conductor-like screening model for real solvents for prediction of the aqueous solubility of chlorobenzenes depending on temperature and salinity. Environ. Toxicol. Chem. 2005, 24:1368-1375.
    • (2005) Environ. Toxicol. Chem. , vol.24 , pp. 1368-1375
    • Oleszek-Kudlak, S.1    Grabda, M.2    Shibata, E.3    Eckert, F.4    Nakamura, T.5
  • 31
    • 79958732863 scopus 로고
    • LOGKOW Database. Sangster Research Laboratories, Montreal, Quebec, Canada.
    • Sangster, J., 1993. LOGKOW Database. Sangster Research Laboratories, Montreal, Quebec, Canada.
    • (1993)
    • Sangster, J.1
  • 35
    • 0000804935 scopus 로고
    • Über die Konstitution der Salzlösungen auf Grund ihres Verhaltens zu Kohlensäure
    • Setschenow J. Über die Konstitution der Salzlösungen auf Grund ihres Verhaltens zu Kohlensäure. Z. Phys. Chem. 1889, 4:117-125.
    • (1889) Z. Phys. Chem. , vol.4 , pp. 117-125
    • Setschenow, J.1
  • 36
    • 0034926661 scopus 로고    scopus 로고
    • Fluorine substituent effects (on bioactivity)
    • Smart B.E. Fluorine substituent effects (on bioactivity). J. Fluorine Chem. 2001, 109:3-11.
    • (2001) J. Fluorine Chem. , vol.109 , pp. 3-11
    • Smart, B.E.1
  • 37
    • 79958762674 scopus 로고    scopus 로고
    • SPARC (September 2009 Release w4.5.1529-s4.5.1529).
    • SPARC (September 2009 Release w4.5.1529-s4.5.1529). http://www.ibmlc2.chem.uga.edu/sparc/.
  • 38
    • 79958701374 scopus 로고    scopus 로고
    • TURBOMOLE V6.2, a Development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007.
    • TURBOMOLE V6.2 2010, a Development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007. http://www.turbomole.com.
    • (2010)
  • 39
    • 0030850492 scopus 로고    scopus 로고
    • A review of the effect of salts on the solubility of organic compounds in seawater
    • Xie W.H., Shiu W.Y., Mackay D. A review of the effect of salts on the solubility of organic compounds in seawater. Mar. Environ. Res. 1997, 44:429-444.
    • (1997) Mar. Environ. Res. , vol.44 , pp. 429-444
    • Xie, W.H.1    Shiu, W.Y.2    Mackay, D.3
  • 40
    • 0036864321 scopus 로고    scopus 로고
    • A comparison between the two general sets of linear free energy descriptors of Abraham and Klamt
    • Zissimos A.M., Abraham M.H., Klamt A., Eckert F., Wood J. A comparison between the two general sets of linear free energy descriptors of Abraham and Klamt. J. Chem. Inf. Comput. Sci. 2002, 42:1320-1331.
    • (2002) J. Chem. Inf. Comput. Sci. , vol.42 , pp. 1320-1331
    • Zissimos, A.M.1    Abraham, M.H.2    Klamt, A.3    Eckert, F.4    Wood, J.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.