Table 1.

The values of intermolecular interactions (in kcal/mol) of caffeine in ccNADES systems.

Type of Interaction	$\mathsf{\Delta }{\mathit{E}}_{\mathit{X}\mathit{Y}}^{\mathit{g},\mathit{i}\mathit{n}\mathit{t}}$	$\mathsf{\Delta }{\mathit{E}}_{\mathit{X}\mathit{Y}}^{\mathit{g},\mathit{c}\mathit{o}\mathit{r}\mathit{r}}$	$\mathsf{\Delta }{\mathit{E}}_{\mathit{X}\mathit{Y}}^{\mathit{g},\mathit{Z}\mathit{P}\mathit{E}}$	$\mathsf{\Delta }{\mathit{E}}_{\mathit{X}\mathit{Y}}^{\mathit{g},\mathit{B}\mathit{S}\mathit{S}\mathit{E}}$	$\mathsf{\Delta }{\mathit{E}}_{\mathit{X}\mathit{Y}}^{\mathit{g}}$	ΔGr(a)COSMO-RS	ΔGr(a)final
C + C	20.20	0.22	25.57	0.18	31.66	0.12	38.27
C + ChCl	24.49	0.32	28.60	0.15	35.03	0.30	41.54
C + GL	28.41	0.46	33.52	0.28	39.94	0.33	47.57
C + SO	33.43	0.22	38.71	0.53	45.28	0.49	53.98
C + XY	39.27	0.25	46.85	0.60	54.10	0.63	64.45
C + GU	48.61	0.27	56.66	0.43	65.80	0.67	76.38
C + W	60.99	0.36	69.65	0.59	79.81	0.99	95.54

The following notation was used: caffeine (C), cholinę chloride (ChCl), glicerol (GL), sorbitol (SO), xylitol (XY), glucose (GU) and water (W). The last column comprises the final Gibbs free energy values of corresponding reaction in the bulk phase including all corrections (cor, ZPE and BSSE).