Aqueous solubilities and enthalpies of solution of n-alkylbenzenes

Temperature Dependence of Aqueous Solubility of Selected Chlorobenzenes, Polychlorinated Biphenyls, and Dibenzofuran

“…The generator column method tends to give low (subsaturation) solubilities for compounds with solubilities exceeding 10 g/m 3 , possibly because the coated compound is more rapidly depleted by the solution, and if any channeling occurs, the solution may be under-saturated. This could explain the lowest reported value of 30.9 g/m 3 for 1,4-dichlorobenzene at 25 °C by Miller et al (1984), although there were successful measurments reported for benzene (May et al, 1978a) and alkylbenzenes (DeVoe et al, 1981;Owens et al, 1986). We suggest that for this reason that the shakeflask method is preferable above 1.0 g/m 3 , and also because of its experimental simplicity.…”

“…The use of a constant enthalpy of solution is only justified over narrow temperature ranges for solid solutes discussed in this work. For liquid solutes, such as benzene and alkylbenzenes, it is well-known that the enthalpy changes, passing through zero around 18 °C (Bohon and Claussen, 1951;Arnold et al, 1958;Owens et al, 1986). Therefore, extreme care must be taken when extrapolating solubilities using reported or estimated enthaplies of solution.…”

Group contribution method for Henry's Law constant of aqueous hydrocarbons

“…JrKrmol , and 0.8% for V at least 0.5 cm rmol . It should s be noted that the adopted weighting scheme at the same time provides an assessment of the expected prediction uncertainties of K and of the derivative hydration properties for H aqueous hydrocarbons which were treated by our group con- Owens et al 1986 , Chen andWagner 1994c ;hexylbenzene, ᎏ this work, ⅷ May et al 1983, ' Owens et al 1986 tribution procedure, or which are reasonably similar by their structure to our training set used in correlation.…”

A new formulation of the predictive NRTL-PR model in terms of kij mixing rules. Extension of the group contributions for the modeling of hydrocarbons in the presence of associating compounds

“…12b). (2): hydrocarbon phase (II) ( ) [160] and aqueous phase (I) ( ) [160], ( ) [161], (᭹) [162]; (b) Water (1)-cyclohexane (2): hydrocarbon phase (II) ( ) [163], (♦) [164] and aqueous phase (I) ( ) [165]; (c) Water (1)-benzene (2): hydrocarbon phase (II) ( ) [160], (♦) [168], (+) [169] and aqueous phase (I) ( ) [160], ( ) [166], (᭹) [167]; (d) Water (1)-ethylbenzene (2): hydrocarbon phase (II) ( ) [170] and aqueous phase (I) ( ) [171], (᭹) [173], ( ) [172].…”