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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