QSPR studies on water solubility, octanol-water partition coefficient and vapour pressure of pesticides

ABSTRACT

The assessment of the environmental fate and (eco)toxicological effects of pesticide compounds is of crucial importance. The present review is focused on Quantitative Structure-Property Relationships (QSPR) applications on three environmentally relevant physicochemical properties of pesticides, which can be used for assessing their environmental partition and transport, as well as exposure potential namely water solubility, octanol-water partition coefficient and vapour pressure. This article revises various interesting QSPR applications with special emphasis on studies developed during the 2009–2019 period.

KEYWORDS:

• QSPR
• pesticide
• water solubility
• octanol-water partition coefficient
• vapour pressure
• molecular descriptor

Acknowledgements

The author thanks for the financial support provided by the National Research Council of Argentina (CONICET) PIP11220130100311 project, and to the Secretaría de Ciencia, Tecnología e Innovación Productiva (formerly Ministerio de Ciencia, Tecnología e Innovación Productiva) for the electronic library facilities. P.R.D. is a member of the scientific researcher career of CONICET.

Disclosure statement

No potential conflict of interest was reported by the author.

Additional information

Funding

This work was supported by the Consejo Nacional de Investigaciones Científicas y Técnicas [PIP11220130100311 project].