title: Salting-out phenomenon and 1-octanol/water partition coefficient of metalaxyl pesticide.
abstract: In this paper, we present the effect of inorganic cations such as Na+, K+, Ca2+, Mg2+ on the salting-out phenomenon of metalaxyl from pure water to aqueous salt solutions. Moreover the 1-octanol/water partition coefficient in pure water is presented. To accomplish this, aqueous solubility of metalaxyl was determined in pure water, in different salt solution (NaCl, KCl, CaCl2 and MgCl2), and at different concentration level ranging from 0.01 to 1.5 M. The 1-octanol/water partition coefficient was determined using the static shake-flask method. Solubility was determined using dynamic saturation method for pure water in the range of 298.15-325.15 K and at 298.15 K for different salt solutions. The solubility value in pure water for studied interval was found constant (m=3.118×10(-2) mol kg(-1)). Solubility values were used to calculate the standard molar Gibbs free energy of dissolution (ΔsolG°) and transfer (ΔtrG°) at 298.15 K. The values of ΔtrG° from pure to all studied aqueous salt solutions did not exceed 2 kJ mol(-1), the value of ΔsolG° of dissolution is 18.5 ±0.72 kJ mol(-1). The 1-octanol/water partition coefficient in pure water log Ko/w is equal to 1.69. The obtained results confirm the classification of the neutral metalaxyl as a slightly hydrophobic molecule.
authors.affiliation: Equipe Thermodynamique, Equilibre de phases et Analyses Avancées ThEAA, Département Chimie et Sciences de la Vie, Faculté des Sciences, Université Saint Esprit de Kaslik, B.P. 446 Jounieh, Lebanon. josephsaab@usek.edu.lb
authors.forename: J
authors.initials: J
authors.lastname: Saab
authors.forename: G
authors.initials: G
authors.lastname: Bassil
authors.forename: R
authors.initials: R
authors.lastname: Abou Naccoul
authors.forename: J
authors.initials: J
authors.lastname: Stephan
authors.forename: I
authors.initials: I
authors.lastname: Mokbel
authors.forename: J
authors.initials: J
authors.lastname: Jose
mesh_terms: D020003:1-Octanol / Q000737:chemistry*; D000409:Alanine / Q000031:analogs & derivatives* / Q000737:chemistry; D002122:Calcium Chloride / Q000737:chemistry; D002412:Cations / Q000737:chemistry; D004735:Energy Transfer; D015636:Magnesium Chloride / Q000737:chemistry; D010575:Pesticides / Q000737:chemistry*; D011189:Potassium Chloride / Q000737:chemistry; D012492:Salts / Q000737:chemistry; D012965:Sodium Chloride / Q000737:chemistry; D012995:Solubility; D014867:Water / Q000737:chemistry*; D014874:Water Pollutants, Chemical / Q000737:chemistry*
chemical_list: D002412:Cations; D010575:Pesticides; D012492:Salts; D014874:Water Pollutants, Chemical; D015636:Magnesium Chloride; D014867:Water; C028175:metalaxyl; D012965:Sodium Chloride; D011189:Potassium Chloride; D002122:Calcium Chloride; D020003:1-Octanol; D000409:Alanine