ESTIMATING PURE COMPONENT VAPOR-PRESSURES OF COMPLEX ORGANIC-MOLECULES

Modifications of the entropy of boiling term and heat capacity change upon boiling term are made to the Yalkowsky-Mishra vapor pressure equa tion. These modifications eliminate a systematic error and enable the pure component vapor pressure estimation of complex organic compounds, including those that-are hydrogen bonding. The new vapor pressure equ ation, which requires only the knowledge of transition temperatures an d molecular structure, is shown to be more accurate than the Yalkowky- Mishra equation for a wide variety of compounds over a wide range of t emperatures (vapor pressures from 1 atm and below).