Estimation of Enthalpies of Formation of Organic Compounds at Infinite Dilution in Water at 298.15 K

摘要

A method has been developed for estimation of enthalpies of formation of organic compounds at infinite dilution in water at 298.15 K. This method provides a pathway for estimation of enthalpies of solution at infinite dilution when enthalpies of formation of the compound in the gas, liquid, or solid phase are also available. The approach taken follows the wellestablished predictive techniques devised by S.W. Benson and coworkers (1-5). These techniques have had wide usage in group additivity calculations of thermodynamic properties and reactions for organic compounds, primarily in the gas phase. In this chapter, the coverage of organic compounds is limited to those compounds which contain the elements carbon, hydrogen, and oxygen. A tabular comparison is provided which shows the difference between experimental and estimated values for enthalpies of solution at infinite dilution in water at 298.15 K.