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Fugacity Calculations Using Estimated Physicochemical Properties

 

作者: M. Müller,   W. Klein,  

 

期刊: SAR and QSAR in Environmental Research  (Taylor Available online 1993)
卷期: Volume 1, issue 2-3  

页码: 245-262

 

ISSN:1062-936X

 

年代: 1993

 

DOI:10.1080/10629369308028832

 

出版商: Taylor & Francis Group

 

关键词: fugacity;vapour pressure;water solubility;Henry's law constant

 

数据来源: Taylor

 

摘要:

Fugacity calculations according to Mackay and Paterson have been performed for a set of 114 chemicals. Calculations using experimental input parameters and calculations based on estimated parameters are comparatively presented. It is shown that estimated parameters are useful for an estimation of environmental distribution provided the estimation methods are chosen carefully and experimental melting points as well as boiling points are available. Estimation methods for vapour pressure and water solubility need further development.

 

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