Group contribution methods to estimate water solubility of organic chemicals

Chemosphere

Volumn 30, Issue 11, 1995, Pages 2061-2077

  Kuhne R ^a   Ebert, R U ^a   Kleint, F ^a   Schmidt, G ^a   Schuurmann G ^a  

^a HELMHOLTZ CENTRE FOR ENVIRONMENTAL RESEARCH UFZ   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CONTAMINANT TRANSPORT; FUSION ENTROPY; GROUP CONTRIBUTION METHOD; MELTING POINT; ORGANIC COMPOUND; WATER SOLUBILITY;

ORGANIC COMPOUND; WATER;

ARTICLE; CHEMICAL STRUCTURE; LIQUID; POLLUTION TRANSPORT; PREDICTION; SOLID; SOLUBILITY;

EID: 0028990049     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/0045-6535(95)00084-L     Document Type: Article

References (14)

1. Estimation of Diffusion Coefficients of Hydrophobic Compounds
2. Estimation of the aqueous solubility of complex organic compounds
3. Quantum Chemical Estimation of Octanol/Water Partition Coefficient — First Results with Aromatic Phosphorothionates
4. Multivariate Error Analysis of Increment Methods for Calculating the Octanol/Water Partition Coefficient
5. Estimation of Aqueous Solubility of Organic Molecules by the Group Contribution Approach. Application to the Study of Biodegradation
6. Prediction of Aqueous Solubility of Organic Chemicals Based on Molecular Structure. 2. Application to PNAs, PCBs, PCDDs, etc.
7. A method for Calculation of the Aqueous Solubility of Organic Compounds by Using New Fragmental Solubility Constants
8. Development of an automatic estimation system for both the partition coefficient and aqueous solubility
9. Ideal Solubility of a Solid Solute: Effect of Heat Capacity Assumptions
10. Evaluation of Estimation Methods for the Air-Water Partition Coefficient
11. Group Contribution Methods for Physico-chemical Properties of Compounds