Accession Number : ADD095088

Title :   Thermodynamic Properties of Normal and Deuterated Methanols,

Corporate Author : NATIONAL STANDARD REFERENCE DATA SYSTEM

Personal Author(s) : Chen, S S ; Wilhoit, R C ; Zwolinski, B J

Report Date : Jan 1977

Pagination or Media Count : 12

Abstract : Structural and spectroscopic data on CH3OH, CH3OD, CD3OH, and CD3OD were reviewed. The selected values were utilized to calculate the ideal gas thermodynamic properties in the temperature range of 0 to 1500 K, using the rigid-rotor and harmonic-oscillator model. Experimental data for the standard enthalpy of formation at 298.15 K, the heat capacities, and the third-law entropies at elevated temperatures are available only for CH3OH in the vapor phase where intermolecular association occurs. The agreement between the observed thermal data and our calculated values is satisfactory within the experimental uncertainties. Finally, the standard chemical thermodynamic values were generated in the temperature range of 0 to 1500 K.

Descriptors :   *CARBINOLS, *THERMODYNAMIC PROPERTIES, *THERMOCHEMISTRY, HEAT OF FORMATION, ENTHALPY, SPECIFIC HEAT, ENTROPY, IDEAL GAS LAW, VAPOR PHASES, TEMPERATURE, MOLECULAR ASSOCIATION, FREE ENERGY, POTENTIAL ENERGY, BARRIERS, ROTATION, MOMENT OF INERTIA, MOLECULAR STRUCTURE, VIBRATIONAL SPECTRA, COEFFICIENTS, EQUATIONS OF STATE

Subject Categories : Organic Chemistry
      Thermodynamics

Distribution Statement : APPROVED FOR PUBLIC RELEASE