Volume 7, Issue 2, April 1978
Index of content:
7(1978); http://dx.doi.org/10.1063/1.555572View Description Hide Description
This review examines the rate constants for hydrolysis in water of 12 classes of organic compounds with the objective of using these data to estimate the persistence of these compounds in freshwater acquatic systems. Primary data were obtained by literature review through most of 1975 and some of 1976. These data, which include values for acid, base, and water promoted rate constants (k A , k B , k N ) and temperature coefficients are presented in 18 tables in section 4. Estimated rate constants for hydrolysis under environmental conditions are presented in 13 tables in section 5, including rate constants at 298 K and pH 7 for acid, base, and water promoted reactions together with values for the estimated rate constant (k h ) and the half‐life (t 1/2).
7(1978); http://dx.doi.org/10.1063/1.555573View Description Hide Description
The standard chemical thermodynamicproperties of phenol, o‐cresol, and m‐cresol, and p‐cresol were calculated by use of the rigid rotor harmonic oscillator approximation. The partition functions for internal rotation of ‐OH and ‐CH3 groups were calculated as a direct sum over the internal rotation energy levels. It was assumed that o‐cresol is a mixture of two rotational isomers. Values of molecular parameters, fundamental frequencies, potential barriers to internal rotation and enthalpies of formation were selected from among those reported in the literature and from some additional molecular orbital calculations.
7(1978); http://dx.doi.org/10.1063/1.555574View Description Hide Description
The available density data for the air‐saturated liquid and for the liquid at its saturation vapor pressure have been critically reviewed and the ’’best’’ data selected for the following halomethanes: CHF2Cl, CHFCl2, CF3Cl, CF3Br, CF2Cl2, CFCl3, (data up to the critical point are available for these compounds); CH3Br, CH2Br2, CHBr3, CBr4, CH2I2, CH2FCl, (data up to the normal boiling point are available for these compounds); CHCl2Br (data over a small temperature range); CHI3, CI4, CH2Fl, CH2ClBr, CH2CH, CHF2Br, CHF2I, CHFBr2, CHFI2, CHCl2I, CHClBr2, CHClI2, CF3I, CF2Br2, CFBr3, CCl3Br, CCl3I, (few scattered data points are available for these compounds). The literature survey is complete up to June 1974. Selection of ’’best’’ data was arrived at by carefully evaluating each set of data for its accuracy, method of experimentation, sample purity, etc. The selection procedure is discussed. The uncertainty in the selected values is reported. For interpolation and limited extrapolation, the selected density data for each compound have been correlated through simple equations in temperature. The regression errors and the computed regression constants are reported in tables 2 and 4, respectively.
7(1978); http://dx.doi.org/10.1063/1.555575View Description Hide Description
The microwave spectrum of cyanoacetylene is critically reviewed for information applicable to radio astronomy. Molecular data such as the derived rotational constants, centrifugal distortion parameters, hyperfine coupling constants, electric dipole moment and molecular structure are tabulated. The observed rotational transitions are presented for the astronomically interesting isotopic forms and low‐lying vibrational states of cyanoacetylene. Calculated rotational transitions up to 300 GHz are presented for the ground vibrational state of H12C12C12C14N, H13C12C12C14N, H12C13C12C14N, H12C13C14N, HPu12C12C12C15N, and D12C12C12C14N, and for the vibrationally excited states ν5, ν6, ν7, 2ν7, and 3ν7 of H12C12C12C14N.
Atomic transition probabilities for vanadium, chromium, and manganese (a critical data compilation of allowed lines)7(1978); http://dx.doi.org/10.1063/1.555576View Description Hide Description
Atomic transition probabilities for about 2700 spectral lines of the elements vanadium,chromium, and manganese through all stages of ionization have been critically evaluated and compiled. All available literature sources have been utilized. Systematic trends along isoelectronic sequences have been extensively exploited to predict oscillator strengths (f‐values) whenever no data were available in the literature. The data are presented in separate tables for each element and stage of ionization and are arranged according to multiplets and, when appropriate, also to transition arrays and increasing quantum numbers. For each line, the transition probability for spontaneous emission, the absorptionoscillator strength, and the line strength are given, along with the spectroscopic designation, the wavelength, the statistical weights, and the energy levels (when available) of the upper and lower atomic states. In addition, the estimated accuracy and the literature reference are indicated. In short introductions, which precede the tables for each spectrum, the main justifications for the choice of the adopted data and for the accuracy rating are discussed. A general introduction contains some more details on our evaluation procedure.