Index of content:
Volume 19, Issue 2, March 1990
19(1990); http://dx.doi.org/10.1063/1.555851View Description Hide Description
The chemical thermodynamic properties of isomer groups of monochloroalkanes from C2H5Cl to C8H1 7Cl in the ideal gas phase have been calculated from 298.15 to 1500 K using new Benson group values from Bozzelli. Increments in isomer group properties per CH2 have been calculated to show the extent to which thermodynamic properties of higher isomer groups may be obtained by linear extrapolation. Equilibrium mole fractions within isomer groups have been calculated for the ideal gas state. Values of C ° p , S°, Δf H°, and Δf G are given for all species of monochloroalkanes from CH3Cl to C8H1 7Cl in SI units for a standard state pressure of 1 bar. The values calculated here are compared with values published by the Thermodynamics Research Center (Texas A&M University) on June 30, 1981.
Standard Chemical Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons and Their Isomer Groups. III. Naphthocoronene Series, Ovalene Series, and First Members of Some Higher Series19(1990); http://dx.doi.org/10.1063/1.555852View Description Hide Description
The tables in our first two papers on polycyclic aromatic hydrocarbons [J. Phys. Chem. Ref. Data 17, 241 (1988) and J. Phys. Chem. Ref. Data (1 8, 77 (1989)], have been extended by calculating thermodynamic properties for the first two isomer groups in the naphthocoronene series, the first two isomer groups in the ovalene series, and first members of some higher series. Successive isomer groups in each series differ by C4H2. The properties of individual species have been estimated using Benson group values of Stein and Fahr for temperatures from 298.15 to 3000 K. Values of C ° p , S°, Δ f H°, and Δ f G° for a standard state pressure of 1 bar are given for isomer groups and for individual species. The isomer group values provide a basis for extrapolating to higher carbon numbers where it is not feasible to consider individual molecular species.
19(1990); http://dx.doi.org/10.1063/1.555853View Description Hide Description
Experimental values of the dielectric constant of water suggest that, for temperatures greater than 400 K, the integral in the Kirkwood dielectric‐constant equation, which involves the intermolecular potential function, is a simpler function of temperature and pressure than of temperature and density. An equation has been fitted to values of this integral calculated from experimental values of the dielectric constant for temperatures from 238.15 K to 823.15 K and to pressures of approximately 500 MPa for temperatures greater than 273 K. The equation of ε thus has explicit variables T, ρ, p and gives a good representation of the available experimental results. The quality of representation of the experimental results has been compared to that of previous correlations of the dielectric constant. The new equation is applicable through wider regions of independent variables than the previous equations and is capable of sufficient accuracy to provide values of Debye–Hückel limiting law slopes which are as accurate as the experimental results allow. Values of Debye‐Hückel limiting‐law slopes are tabulated.
19(1990); http://dx.doi.org/10.1063/1.555854View Description Hide Description
Absolute rate constants for reactions of alkylperoxyl and substituted alkylperoxyl radicals with inorganic and organic compounds in aqueous and non‐aqueous fluid solutions have been compiled. The radicals have been generated by radiolysis or photolysis and their rate constants were determined generally by kinetic spectrophotometry or esr.Rate constants are included also for formation of peroxyl radicals by reaction of alkyl radicals with oxygen and for decay of peroxyl radicals by radical‐radical reactions.