Schröder, BerndMartins, Mónia A.R.Pinho, SimãoCoutinho, João A.P.2014-09-192014-09-192013Schröder, B.; Martins, M.A.R.; Pinho, Simão; Coutinho, J.A.P. (2013). Physico-chemical property prediction and environmental fate modelling of N-acylchalcogenourea derivatives. In X Jornadas CICECO. Aveirohttp://hdl.handle.net/10198/10493(Subcooled) vapour pressures, aqueous solubilities, Henry constants, log KOW and log KOC partition constants have been estimated for a set of N-acyl-chalcogenourea derivatives using several prediction methods (COSMO-RS in its COSMOtherm implementation, SPARC as well as EPA’s EPIsuite). The data are discussed in terms of substituent effects: how do subtle changes in the chemical composition influence basic physico-chemical properties and hence, the environmental fate of the title compounds?engEnvironmental fateCOSMOSPARCPropertiesconference object