Ideal gas thermodynamic properties of phenol and cresols

Abstract

Ideal gas thermodynamic properties of the eight bromo and lodomethanesThe standard chemical thermodynamic properties of phenol, o-cresol, 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 n-l'rf'!':ol i!': .. mixture of two rotational isomers. Values of molf'('ular pArAmf'tf'rS, fundAmental frequencies, potential barriers to internal rotation and enthalpies of formation were selected from among those reported in the lit· erature and from some additional molecular orbital calculations.

Thermochemical Data for Combustion Calculations

“…The coefficients a i can be calculated by a least-squares fit of the function ... • . Kudchadker et al (1978).…”

The Pressure Relief System Design for Industrial Reactors

“…Various procedures for heat exchanger design may be found in the available literature [9,10,13]. Only brief calculation procedure is presented [5,7,10].…”

Combustion Chemistry

“…The coefficients a i can be calculated by a least-squares fit of the function Kudchadker et al (1978). The symbol B represents a scaling factor that determines how rapidly C~ approaches C~( CIJ).…”