Table 1 Calculated molar fractions of the components present in ethanolsolution of 1 along with the corresponding equilibrium constants andthe Gibbs free energy differences

T [K]

$X_{\mathit{diol}}^i=\frac{I_{\mathit{diol}}^i}{I_{\mathit{diol}}^0}$

a

$X_{\mathit{monoketo}}^i=\frac{I_{\mathit{monoketo}}^i}{I_{\mathit{monoketo}}^0}$

b

$X_{\mathit{diketo}}^i=\frac{I_{\mathit{diketo}}^i}{I_{\mathit{diketo}}^0}$

c

$K_{T_1}^i=\frac{X_{\mathit{monoketo}}^i}{X_{\mathit{diol}}^i}$

$K_{T_2}^i=\frac{X_{\mathit{diketo}}^i}{X_{\mathit{monoketo}}^i}$

ΔG₁[kcal/mol]

ΔG₂[kcal/mol]