Prediction of octanol-water partition coefficients, Henry coefficients and water solubilities using UNIFAC

被引:0
|
作者
Wienke, G. [1 ]
Gmehling, J. [1 ]
机构
[1] Carl von Ossietzky Universitat, Fachbereich 9, 26111 Oldenburg, Germany
来源
关键词
The authors thank the Bundesministerium für Umwelt; Naturschutz und Reaktorsicherheit for supporting this work in the frame of research project 106 02 070. Furthermore the help of Dr. A. Dallos (Veszprem/Hungary) and Umweltbundesamt in Berlin (Prof. Dr. Neidhard; Dr; P; Greiner; Dr. G. Holdt) is gratefully acknowledged;
D O I
暂无
中图分类号
学科分类号
摘要
28
引用
收藏
页码:57 / 86
相关论文
共 50 条
  • [41] The octanol/water partition coefficients of aminimides
    Lutsyk, A
    Suikov, S
    Bondarenko, A
    Pechtereva, T
    MONATSHEFTE FUR CHEMIE, 2003, 134 (10): : 1333 - 1339
  • [42] Octanol/water partition coefficients of chloronaphthalenes
    Puzyn, T
    Falandysz, J
    JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING, 2005, 40 (09): : 1651 - 1663
  • [43] Octanol-Water Partition Coefficients of Fluorinated Drug Molecules with Continuum Solvation Models
    Patel, Chandan
    Roy, Dipankar
    JOURNAL OF PHYSICAL CHEMISTRY A, 2022, 126 (26): : 4185 - 4190
  • [44] The use of momentum-space descriptors for predicting octanol-water partition coefficients
    Al-Fahemi, JH
    Cooper, DL
    Allan, NL
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 727 (1-3): : 57 - 61
  • [45] Calculation of octanol-water partition coefficients of organic solutes from their molecular volumes
    Edward, JT
    CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1998, 76 (09): : 1294 - 1303
  • [46] ATOM FRAGMENT CONTRIBUTION METHOD FOR ESTIMATING OCTANOL-WATER PARTITION-COEFFICIENTS
    MEYLAN, WM
    HOWARD, PH
    JOURNAL OF PHARMACEUTICAL SCIENCES, 1995, 84 (01) : 83 - 92
  • [47] The Octanol/Water Partition Coefficients of Aminimides
    Alexander Lutsyk
    Sergei Suikov
    Anastasiya Bondarenko
    Tatiana Pechtereva
    Monatshefte für Chemie / Chemical Monthly, 2003, 134 : 1333 - 1339
  • [48] Estimation of octanol-water partition coefficients of PCBs based on the solvation free energy
    Li, Wanran
    Song, Guobin
    Zhang, Jing
    Song, Jianwei
    Wang, Haonan
    Shi, Yawei
    Ding, Guanghui
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2021, 1202
  • [49] REGRESSION-MODELS FOR OCTANOL-WATER PARTITION-COEFFICIENTS, AND FOR BIOCONCENTRATION IN FISH
    NOEGROHATI, S
    HAMMERS, WE
    TOXICOLOGICAL AND ENVIRONMENTAL CHEMISTRY, 1992, 34 (2-4): : 155 - 173
  • [50] Effect of Electrolytes on Octanol-Water Partition Coefficients: Calculations with COSMO-RS
    Wille, S.
    Buggert, M.
    Mokrushina, L.
    Arlt, W.
    Smirnova, I.
    CHEMICAL ENGINEERING & TECHNOLOGY, 2010, 33 (07) : 1075 - 1082