Group-Contribution-Based Estimation of Octanol/Water Partition Coefficient and Aqueous Solubility

Jorge Marrero; Rafiqul Gani

doi:10.1021/ie0205290

Group-Contribution-Based Estimation of Octanol/Water Partition Coefficient and Aqueous Solubility

Industrial & Engineering Chemistry Research ◽

10.1021/ie0205290 ◽

2002 ◽

Vol 41 (25) ◽

pp. 6623-6633 ◽

Cited By ~ 48

Author(s):

Jorge Marrero ◽

Rafiqul Gani

Keyword(s):

Partition Coefficient ◽

Aqueous Solubility ◽

Group Contribution ◽

Water Partition Coefficient

Aqueous solubility and n-octanol/water partition coefficient correlations

Chemosphere ◽

10.1016/0045-6535(89)90468-2 ◽

1989 ◽

Vol 18 (9-10) ◽

pp. 1837-1853 ◽

Cited By ~ 104

Author(s):

Pascal Isnard ◽

Serge Lambert

Keyword(s):

Partition Coefficient ◽

Aqueous Solubility ◽

Water Partition Coefficient

Relationships between octanol-water partition coefficient and aqueous solubility

Environmental Science & Technology ◽

10.1021/es00136a007 ◽

1985 ◽

Vol 19 (6) ◽

pp. 522-529 ◽

Cited By ~ 331

Author(s):

Michele M. Miller ◽

Stanley P. Wasik ◽

Guo Lan. Huang ◽

Wan Ying. Shiu ◽

Donald. Mackay

Keyword(s):

Partition Coefficient ◽

Aqueous Solubility ◽

Water Partition Coefficient

Empirical relationships of aqueous solubility and octanol‐water partition coefficient of hydrocarbons with different molecular descriptors

Toxicological and Environmental Chemistry ◽

10.1080/02772249409358085 ◽

1994 ◽

Vol 45 (3-4) ◽

pp. 205-209

Author(s):

G. S. Patil ◽

M. Bora

Keyword(s):

Partition Coefficient ◽

Molecular Descriptors ◽

Aqueous Solubility ◽

Empirical Relationships ◽

Water Partition Coefficient

Estimating bioconcentration factors from octanol-water partition coefficient and aqueous solubility

Chemosphere ◽

10.1016/0045-6535(88)90040-9 ◽

1988 ◽

Vol 17 (1) ◽

pp. 21-34 ◽

Cited By ~ 135

Author(s):

P. Isnard ◽

S. Lambert

Keyword(s):

Partition Coefficient ◽

Aqueous Solubility ◽

Bioconcentration Factors ◽

Water Partition Coefficient

Aqueous solubility, octanol solubility, and octanol/water partition coefficient of nine hydrophobic dyes

Environmental Toxicology and Chemistry ◽

10.1002/etc.5620180606 ◽

1999 ◽

Vol 18 (6) ◽

pp. 1109-1117 ◽

Cited By ~ 4

Author(s):

Dick T. H. M. Sijm ◽

Gerrit Schüürmann ◽

Pieter J. de Vries ◽

Antoon Opperhuizen

Keyword(s):

Partition Coefficient ◽

Aqueous Solubility ◽

Water Partition Coefficient

Estimation of aqueous solubility, octanol/water partition coefficient, and henry's law constant for polychlorinated biphenyls using unifac

Chemosphere ◽

10.1016/0045-6535(94)90037-x ◽

1994 ◽

Vol 29 (4) ◽

pp. 657-669 ◽

Cited By ~ 13

Author(s):

An Li ◽

William J. Doucette ◽

Anders W. Andren

Keyword(s):

Polychlorinated Biphenyls ◽

Partition Coefficient ◽

Aqueous Solubility ◽

Henry's Law ◽

Henry’S Law Constant ◽

Henry's Law Constant ◽

Henry’S Law ◽

Water Partition Coefficient

Correlation of aqueous solubility and octanol-water partition coefficient based on molecular structure

Chemosphere ◽

10.1016/0045-6535(91)90049-j ◽

1991 ◽

Vol 22 (8) ◽

pp. 723-738 ◽

Cited By ~ 47

Author(s):

G.S. Patil

Keyword(s):

Molecular Structure ◽

Partition Coefficient ◽

Aqueous Solubility ◽

Water Partition Coefficient

The search for reliable aqueous solubility (Sw) and octanol-water partition coefficient (Kow) data for hydrophobic organic compounds; DDT and DDE as a case study

10.3133/wri014201 ◽

2001 ◽

Keyword(s):

Partition Coefficient ◽

Organic Compounds ◽

Aqueous Solubility ◽

Hydrophobic Organic Compounds ◽

Water Partition Coefficient

Prediction of aqueous solubility and the octanol-water partition coefficient for lipophilic organic compounds using molecular descriptors and physicochemical properties

Chemosphere ◽

10.1016/0045-6535(90)90168-s ◽

1990 ◽

Vol 21 (7) ◽

pp. 877-888 ◽

Cited By ~ 16

Author(s):

M.St.J. Warne ◽

D.W. Connell ◽

D.W. Hawker ◽

G. Schüürmann

Keyword(s):

Physicochemical Properties ◽

Partition Coefficient ◽

Organic Compounds ◽

Molecular Descriptors ◽

Aqueous Solubility ◽

Water Partition Coefficient

Aqueous solubility and octanol/water partition coefficient of organic compounds at 25.0.degree.C

Journal of Chemical & Engineering Data ◽

10.1021/je00030a025 ◽

1982 ◽

Vol 27 (4) ◽

pp. 451-454 ◽

Cited By ~ 134

Author(s):

Yadu B. Tewari ◽

Michele M. Miller ◽

Stanley P. Wasik ◽

Daniel E. Martire

Keyword(s):

Partition Coefficient ◽

Organic Compounds ◽

Aqueous Solubility ◽

Water Partition Coefficient