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Physico-chemical property prediction and environmental fate modelling of N-acyl...
Schröder, B.; Martins, M.A.R.; Pinho, Simão; Coutinho, J.A.P.(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 physi...
Data: 2013
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Origem: Biblioteca Digital do IPB
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