Description: This article discusses the determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements. Abstract: Gas chromatographic retention data on 107 terpene hydrocarbons from the literature together with other data have been used to obtain a set of Abraham descriptors for these 107 compounds. For 88 aliphatic cyclic terpene hydrocarbons, a fragmentation scheme was constructed that allows key descriptors to be estimated just from structure. The total set of descriptors, including those estimated by the fragmentation schemes, were then used to predict water-octanol partition coefficients for the 88 compounds, there being good agreement with values calculated from a number of well-known programs. For a small number of terpene hydrocarbons, there was good agreement between predicted and experimental values of nasal pungency thresholds, and predicted and experimental gas-blood, gas-oil, and gas-water partition coefficients. It is suggested that the descriptors obtained for the 107 terpene hydrocarbons can be used to predict water-solvent partition coefficients, gas-solvent partition coefficients, and partition coefficients in a number of biological systems.

Description: This article discusses the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. Abstract: This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in binary organic solvent mixtures. Published solubility data for anthracene, naphthalene, phenanthrene, phenothiazine, and pyrene that appeared in the primary literature between 1995 to the end of 2011 are compiled and critically evaluated. Experimental solubility data for 360 different solute-binary solvent systems are included in the volume. Solubility data published prior to 1995 were contained in three earlier volumes (Vols. 54, 58, and 59) and are not repeated in this volume.

Description: This article discusses the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. Abstract: This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in neat organic solvents. Published solubility data for acenaphthene, anthracene, biphenyl, carbazole, dibenzofuran, dibenzothiophene, fluoranthene, fluorene, naphthalene, phenanthrene, phenothiazine, pyrene, thianthrene, and xanthene that appeared in the primary literature from 1995 to the end of 2011 are compiled and critically evaluated. Experimental solubility data for more than 550 different solute-organic solvent systems are included. Solubility data published prior to 1995 were contained in three earlier volumes (Vols. 54, 58, and 59) and are not repeated in this volume.

Description: This article discusses partition coefficients of inert solutes on self-associating binary solvent mixtures. Abstract: A conventional nonelectrolyte solution model which has led to successful predictive equations for the partial molar excess properties of a solute in simple binary solvent systems is extended to include self-associating solvent components. An expression is developed and tested for its ability to describe gas-liquid partition coefficients in mixed solvents from measurements in the pure solvents. For n-hexane, n-heptane, and cyclohexane on blended mixtures of n-hexadecane and n-octadecane with N,N-dibutyl-2-ethylhexylamide, the newly derived expression is found to describe the chromatographic data to within 2%.

Description: This article discusses thermochemical investigations of nearly ideal binary solvents. Abstract: The simple model which has previously led to successful predictive equations for the partial molar excess enthalpy of a solute in nearly ideal binary solvents has been slightly modified for application to the partial molar excess Gibbs free energy (excess chemical potential) of the solute in these systems. Three predictive equations are derived and tested for their ability to predict solubility in mixed solvents from measurements in the pure solvents. The most successful equation involves volumetrically weighted interaction parameters for the excess Gibbs free energy relative to the Flory-Huggins entropy of mixing, and predicts solubility in 22 systems containing naphthalene, iodine, and stannic iodide as solutes with an average deviation of 1.5% and a maximum deviation of 4%, using no adjustable parameters.