Activity Coefficients:

The figure below shows the activity coefficients of the n-heptane (1) - 1-butanol (2) system at T=50°C;

x= more fraction of 1-butanol in the liquid phase.
y= activity coefficient

Experimental data:

- A. Gusovius, Diplomarbeit, TU Darmstadt, Germany, 1997
- C. W. Smith and E. W. Engel, J. Amer. Chem. Soc. 51 2660 (1929)

COSMOtherm calculations were done using Turbomole BP-TZVP-COSMO with the standard parametrization for this method/basis set combination.