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Oct 1988

Volume 17, Issue 4, pp. 1377-1803


Evaluated Chemical Kinetic Data for the Reactions of Atomic Oxygen O(3P) with Sulfur Containing Compounds

D. L. Singleton and R. J. Cvetanović

J. Phys. Chem. Ref. Data 17, 1377 (1988); http://dx.doi.org/10.1063/1.555811 (61 pages) | Cited 5 times

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Chemical kinetic data for reactions of O(3P) atoms with sulfur containing compounds are compiled and critically evaluated. Specifically, the reactions considered include the interactions of the ground electronic state of oxygen atoms, O(3P), with S2, SF2, SF5, SOF, S2O, SO, SO2, SO3, SH, H2S, D2S, H2SO4, CS, CS2, COS, CH3SH, C2H5SH, C4H9SH, C5H11SH, CH3SCH3, cy‐CH2SCH2, cy‐CHCHSCHCH, CH3SSCH3, SCF2, SCCl2, and cy‐CF2SCF2S. With one exception, the liquid phase reaction O(3P)+H2SO4→products, all the data considered were for gas phase reactions. Where possible, ‘‘Recommended’’ values of the rate parameters have been assessed and conservative uncertainty limits assigned to them.
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82.20.Pm Rate constants, reaction cross sections, and activation energies
82.30.Cf Atom and radical reactions; chain reactions; molecule-molecule reactions

New International Skeleton Tables for the Thermodynamic Properties of Ordinary Water Substance

H. Sato, M. Uematsu, K. Watanabe, A. Saul, and W. Wagner

J. Phys. Chem. Ref. Data 17, 1439 (1988); http://dx.doi.org/10.1063/1.555812 (102 pages) | Cited 3 times

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The current knowledge of thermodynamic properties of ordinary water substance is summarized in a condensed form of a set of skeleton steam tables, where the most probable values with the reliabilities on specific volume and enthalpy are provided in the range of temperatures from 273 to 1073 K and pressures from 101.325 kPa to 1 GPa and at the saturation state from the triple point to the critical point. These tables have been accepted as the IAPS Skeleton Tables 1985 for the Thermodynamic Properties of Ordinary Water Substance(IST‐85) by the International Association for the Properties of Steam(IAPS). The former International Skeleton Steam Tables, October 1963(IST‐63), have been withdrawn by IAPS. About 17 000 experimental thermodynamic data were assessed and classified previously by Working Group 1 of IAPS. About 10 000 experimental data were collected and evaluated in detail and especially about 7000 specific‐volume data among them were critically analyzed with respect to their errors using the statistical method originally developed at Keio University by the first three authors. As a result, specific‐volume and enthalpy values with associated reliabilities were determined at 1455 grid points of 24 isotherms and 61 isobars in the single‐fluid phase state and at 54 temperatures along the saturation curve. The background, analytical procedure, and reliability of IST‐85 as well as the assessment of the existing experimental data and equations of state are also discussed in this paper.
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65.20.-w Thermal properties of liquids
65.40.gd Entropy
64.30.-t Equations of state of specific substances

Benzene Thermophysical Properties from 279 to 900 K at Pressures to 1000 Bar

Robert D. Goodwin

J. Phys. Chem. Ref. Data 17, 1541 (1988); http://dx.doi.org/10.1063/1.555813 (96 pages) | Cited 13 times

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The thermodynamic data for benzene have been evaluated and fit to a highly constrained, nonanalytic equation of state. Comparisons of the equation with the selected PVT and derived property data are given. Extensive tables are presented providing tabular values for coexisting liquid and vapor as well as for the single phase along isobars. The equation of state and tables cover the range from the triple point (278.68 K) to 900 K, with pressures to 1000 bar.
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65.20.-w Thermal properties of liquids
65.40.gd Entropy
64.30.-t Equations of state of specific substances

Estimation of the Thermodynamic Properties of Hydrocarbons at 298.15 K

Eugene S. Domalski and Elizabeth D. Hearing

J. Phys. Chem. Ref. Data 17, 1637 (1988); http://dx.doi.org/10.1063/1.555814 (42 pages) | Cited 2 times

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An estimation method developed by S. W. Benson and coworkers, for calculating the thermodynamic properties of organic compounds in the gas phase, has been extended to the liquid and solid phases for hydrocarbon compounds at 298.15 K. The second order approach which includes nearest neighbor interactions has been applied to the condensed phase. A total of 1311 comparisons are made between experimentally determined values and those calculated using additive group values. Of the 559 comparisons given for the enthalpy of formation (Δf H°) in the gas, liquid, and solid phases, the average difference (residual), without regard to sign, is 2.6 kJ/mol. The average differences for 390 comparisons for the heat capacity (C○p) and 352 comparisons for the entropy (S°) in the three phases are 1.9 and 2.3 J.mol⋅K, respectively. The good agreement between experimental and calculated values shows that the Benson group additivity approach to the estimation of thermodynamic properties of organic compounds is applicable to the liquid and solid phases as well as the gas phase. Appendices provide example calculations of the thermodynamic properties of selected hydrocarbon compounds, total symmetry numbers, and methyl repulsion corrections. Most of the 144 references listed offer an indication of the activity in the development of estimation methods for calculating thermodynamic properties since 1931.
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82.60.Cx Enthalpies of combustion, reaction, and formation
82.60.Fa Heat capacities and heats of phase transitions
65.20.-w Thermal properties of liquids
65.40.gd Entropy

Wavelengths and energy level classifications of scandium spectra for all stages of ionization

V. Kaufman and J. Sugar

J. Phys. Chem. Ref. Data 17, 1679 (1988); http://dx.doi.org/10.1063/1.555815 (111 pages) | Cited 5 times

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Wavelengths and their classifications are compiled for the spectra of scandium, Sc i through Scxxi. Selections of data are based on the critical evaluations in the compilation of energy levels by Sugar and Corliss.8 These are updated by a thorough search of the subsequent literature. All classifications are verified with predictions made by differencing the energy levels. Spectra are ordered by ionization stage and listed by wavelength. Two finding lists are included, one containing Sc i to Sc iii and the other Sc iv to Sc xxi.
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32.30.Jc Visible and ultraviolet spectra

Atomic Weights of the Elements 1987

J. R. De Laeter

J. Phys. Chem. Ref. Data 17, 1791 (1988); http://dx.doi.org/10.1063/1.555816 (3 pages)

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The International Union of Pure and Applied Chemistry Commission on Atomic Weights and Isotopic Abundances has reviewed recent literature and confirmed the atomic weight values published in 1985, with one minor change. The current table of standard atomic weights is presented.
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06.20.F- Units and standards
32.10.Bi Atomic masses, mass spectra, abundances, and isotopes

The 1986 CODATA Recommended Values of the Fundamental Physical Constants

E. Richard Cohen and Barry N. Taylor

J. Phys. Chem. Ref. Data 17, 1795 (1988); http://dx.doi.org/10.1063/1.555817 (9 pages) | Cited 8 times

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Presented here are the values of the basic constants and conversion factors of physics and chemistry resulting from the 1986 least‐squares adjustment of the fundamental physical constants as published by the CODATA (Committee on Data for Science and Technology) Task Group on Fundamental Constants and recommended for international use by CODATA. The 1986 CODATA set of values replaces its predecessor published by the Task Group and recommended for international use by CODATA in 1973.
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06.20.Jr Determination of fundamental constants
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