The aim of this study is to develop a widely applicable model for predicting the heat-capacity change associated with boiling at atmospheric pressure (AC pb) of organic compounds. A semiempirical model is generated utilizing a flexibility index (τ) and a hydrogen-bonding parameter. This model is based upon experimental apparent ΔC pb values of 619 organic compounds. The average absolute error for the estimation is [7.1 J/K mol. The proposed model quantitatively establishes the impact of flexibility and hydrogen bonding on the apparent ~ΔC pb It is shown to be more accurate when compared to some of the previously described methods.
ASJC Scopus subject areas
- Polymers and Plastics
- Environmental Science(all)
- Chemical Engineering (miscellaneous)