VOLUME I Introduction The Incentive Physical-Chemical Properties Experimental Methods Quantitative Structure-Property Relationships (QSPRs) Mass Balance Models of Chemical Fate Data Sources and Presentation Illustrative QSPR Plots and Fate Calculations References Aliphatic and Cyclic Hydrocarbons Lists of Chemicals and Data Compilations Summary Tables and QSPR plots References Mononuclear Aromatic Hydrocarbons Lists of Chemicals and Data Compilations Summary Tables and QSPR plots References Polynuclear Aromatic Hydrocarbons (PAHs) and Related Aromatic Hydrocarbons Lists of Chemicals and Data Compilations Summary Tables and QSPR plots References VOLUME II * Halogenated Aliphatic Hydrocarbons Chlorobenzenes and Other Halogenated Mononuclear Aromatics Polychlorinated Biphenyls (PCBs) Chlorinated Dibenzop-dioxins Chlorinated Dibenzofurans VOLUME III * Ethers Alcohols Aldehydes and Ketones Carboxylic Acids Phenolic Compounds Esters VOLUME IV Nitrogen and Sulfur Compounds Lists of Chemicals and Data Compilations Summary Tables References Herbicides Lists of Chemicals and Data Compilations Summary Tables References Insecticides Lists of Chemicals and Data Compilations Summary Tables References Fungicides Lists of Chemicals and Data Compilations Summary Tables References APPENDICES List of Symbols and Abbreviations Alphabetical Index CAS Registry Index Molecular Formula Index * Each chapter contains lists of chemicals and data compilations, summary tables, QSPR plots, and references

Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals

Prompted by the observation that recent literature displays marked disagreement as to the proper treatment of data on the refractive indices of binary liquid mixtures, this paper clarifies the relationships among refractive index, molar volume and molar refraction and the corresponding mixing properties. It is shown that the molar refraction deviation function must be calculated on a mole fraction basis and the refractive index deviation function on a volume fraction basis, which makes it directly interpretable as a sign-reversed measure of the deviation of reduced free volume from ideality.

Refractive indices, molar volumes and molar refractions of binary liquid mixtures: concepts and correlations

To date, much has been achieved in the determination of the molar volumes of electrolytes and ions in nonaqueous solvents. This review compiles and critically assesses the data available in the open literature for the standard partial molar volumes of electrolytes, V°, and their ionic constituents, V°(ion), in nonaqueous solvents at 298.15 K. Focus is on electrolytes composed of simple (monatomic and asymmetrical polatomic) ions, and salts containing ions such as triflate and acetate.

Standard partial molar volumes of electrolytes and ions in nonaqueous solvents.

Aqueous solubilities, n-octanol/water partition coefficients (K ow s), and Henry's law constants were determined for a range of polycyclic aromatic hydrocarbons (PAHs) using a generator-column, slow-stirring, and gas-purge method, respectively. The currently obtained data were compared to available literature data. For seven of the PAHs no K ow S previously were determined with the slow-stirring method. For four of the PAHs the present study reports the first experimental Henry's law constants. Relationships between subcooled liquid solubilities, K ow S, and Henry's law constants as a function of molar volume are discussed. A consistent data set was obtained, for which an excellent correlation was found between subcooled liquid solubility and molar volume. A linear fit did not accurately describe the relationship between log K ow and molar volume. This is probably due to a decreasing solubility in n-octanol with increasing molar volume. Finally, a high correlation was found between Henry's law constant and molar volume. The presently obtained dataset can be used to predict the fate and behavior of unsubstituted homocyclic PAHs.

Physicochemical properties of polycyclic aromatic hydrocarbons: Aqueous solubilities, n‐octanol/water partition coefficients, and Henry's law constants

A layered double hydroxide with the hydrotalcite-like structure containing Ni(II) and Fe(III) cations in the brucite-like layers with the formula [Ni0.7Fe0.3(OH)2](CO3)0.15·0.94 H2O has been prepared by coprecipitation. On hydrothermal treatment, a coproduct, identified as a NiFe2O4 spinel, is formed. Both samples, as well as the solids obtained from them by calcination at 450 °C (where only mixed oxides are present) and 750 °C (where crystallization of well defined phases has taken place), have been characterized by powder X-ray diffraction (PXRD), X-ray absorption (XAS) and FT-IR spectroscopies, thermal analysis (differential and thermogravimetric), temperature-programmed reduction, and specific surface area assessment. XAS results show that in both calcined samples all Ni(II) cations are in octahedral holes, while Fe(III) cations are equally distributed between octahedral and tetrahedral holes. For the sample calcined at 750 °C, coordination parameters at the first and second shells of Ni(II) and Fe(II...

Synthesis and Characterization of Hydrotalcites Containing Ni(II) and Fe(III) and Their Calcination Products

Solubility measurements of naphthalene in water and water + alcohol solutions (methanol, 1-propanol, 2-propanol, 1-butanol, and 2-methyl-2-propanol), ranging from 278.15 to 313.15 K, are reported. Thermodynamic functions of transfer and pair Gibbs free energy interaction parameters, g NA , at 298.15 K have been obtained

Solubility of naphthalene in water + alcohol solutions at various temperatures

The excess molar volumes V m E and refractive indices n D of cis-9-octadecenoic (oleic) acid + a n-alkane (C 7 -C 12 ) or + an alkan-1-ol (C 6 -C 12 ) have been determined at 298.15 K for all mixtures. The excess volumes are negative over the whole composition range. A linear dependence between V m E at the minimum and the number of carbon atoms, N C , and between V m E (x=0.5) and the volume fraction, O 1 , of the second component is found

Excess molar volumes and refractive indices of cis-9-octadecenoic acid + n-alkanes or alkan-1-ols at 298.15 K

Limiting partial molar volumes of electrolytes in several water-dimethyl sulfoxide mixtures, up to xDMSO= 0.1587, have been determined from density measurements at 298.15 K. A reference electrolyte assumption (TATB) has been used in order to obtain single-ion partial molar volumes of transfer from water to DMSO–water mixtures. The influence of DMSO on ΔtV′0i of alkali metals and halide ions is negligible in the highly water-rich region (up to xDMSO≈ 0.04) except for the I– ion. However, when the DMSO composition is greater than xDMSO≈ 0.04, the variation of ΔtV′0i for alkali metals is the reverse to that of halide ions. The results are discussed on the basis of ion–solvent and solvent–solvent interactions using Conway's model.

Limiting partial molar volumes of electrolytes in dimethylformamide–water mixtures at 298.15 K

ATP binding to purified homopolymeric plant glutamine synthetase studied by isothermal titration calorimetry

Activity coefficients for NaCl in N,N-dimethylformamide + water mixtures containing 5, 7.5, 10, 15, 30, and 45 mass % DMF have been determined at 25 °C by emf measurements. A decrease of the activity coefficient for NaCl with the DMF increase in the mixture is observed. The activity coefficients at the concentration 0.10 mol·kg-1 have been correlated with those reported in the literature for other DMF compositions.

Cayetano Yanes

Papers

Solubility of naphthalene in water + alcohol solutions at various temperatures

Excess molar volumes and refractive indices of cis-9-octadecenoic acid + n-alkanes or alkan-1-ols at 298.15 K

Limiting partial molar volumes of electrolytes in dimethylformamide–water mixtures at 298.15 K

ATP binding to purified homopolymeric plant glutamine synthetase studied by isothermal titration calorimetry

Activity Coefficients for NaCl in (w)N,N-Dimethylformamide + (1 − w)Water Mixtures at 25 °C