Fate and transport of monoterpenes through soils. Part I. Prediction of temperature dependent soil fate model input-parameters

Abstract

Monoterpenes are C 10 H n O n ′ compounds of natural origin and are potentially environmentally safe substitutes for traditional pesticides. Still, an assessment of their environmental behaviour is required. As a first step in a theoretical study focussing on monoterpenes applied as pesticides to terrestrial environments, soil fate model input-parameters were determined for 20 monoterpenes with widely different structural characteristics. Input-parameters are the water solubility ( S W), vapour pressure ( P), n-octanol–water partition coefficient ( K OW), atmospheric air and bulk water diffusion coefficients ( D A air and D W water ), first order biodegradation rate constants ( k), and their temperature dependence. Values for these parameters were estimated or taken from previous experimental work. The quality of the estimations was discussed by focussing on their statistics and by comparison with available experimental data. From these properties, the air–water partition coefficient ( K AW, Henry’s Law constant), the interface–water partition coefficient ( K IW) and the organic matter–water partition coefficient ( K OM) could be estimated with varying levels of accuracy. In general, little experimental data turned out to be available on biodegradation rate constants and on the temperature dependence of physico-chemical parameters.