Modifications of the entropy of boiling term and heat capacity
change upon boiling term are
made to the Yalkowsky−Mishra vapor pressure equation. 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 equation, which
requires only the knowledge of transition temperatures and molecular
structure, is shown to be
more accurate than the Yalkowky−Mishra equation for a wide variety of
compounds over a
wide range of temperatures (vapor pressures from 1 atm and
below).
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