Estimation of aqueous solubility of organic compounds by using the general solubility equation

Chemosphere

Volumn 48, Issue 5, 2002, Pages 487-509

  Ran, Yingqing ^a   He, Yan ^a   Yang, Gang ^a   Johnson, Jennifer L H ^a   Yalkowsky, Samuel H ^a  

^a UNIVERSITY OF ARIZONA   (United States)

Author keywords

Aqueous solubility; General solubility equation; Melting point; Octanol water partition coefficient; Solubility estimation

Indexed keywords

DATABASE SYSTEMS; SOLUBILITY;

NON-ELECTROLYTES;

ORGANIC COMPOUNDS;

OCTANOL; ORGANIC COMPOUND; WATER;

AQUEOUS SOLUTION; ELECTROLYTE; MELTING; ORGANIC COMPOUND; SOLUBILITY;

ARTICLE; MELTING POINT; PARTITION COEFFICIENT; SOLUBILITY; CHEMICAL MODEL; FORECASTING; REFERENCE VALUE; WATER POLLUTANT;

FORECASTING; MODELS, CHEMICAL; ORGANIC CHEMICALS; REFERENCE VALUES; SOLUBILITY; WATER POLLUTANTS;

EID: 0035987631     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0045-6535(02)00118-2     Document Type: Article

References (14)

1. The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship
2. Estimation of aqueous solubility for a diverse set of organic compounds based on molecular topology
3. Estimation of the aqueous solubility I: Application to organic non-electrolytes
4. Prediction of drug solubility from monte carlo simulations
5. Estimation of the aqueous solubility of organic molecules by the group contribution approach
6. Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegredation
7. Group contribution methods to estimate water solubility of organic chemicals
8. Improved method of estimating water solubility from octanol/water partition coefficient
9. Prediction of aqueous solubility of organic compounds molecular structure
10. Comparison of two methods for prediction aqueous solubility
11. Prediction of drug solubility by the general solubility equation (GSE)
12. Prediction of aqueous solubility of organic compounds by the general solubility equation (GSE)
13. Prediction of the aqueous solubility comparison of the general solubility equation and the method using an amended solvation energy relationship