Table 1 Relative solubility of rotigotine, experiment versus theory

From: Computational polymorph screening reveals late-appearing and poorly-soluble form of rotigotine

Method

ΔH (kJ mol−1)

ΔF (kJ mol−1)

ΔSolubility

Experiment

7.5

–

8.1

Theory

7.6

5.3

8.3

  1. The relative enthalpy (ΔH), free energy (ΔF), and solubility between Form I and II of rotigotine as obtained by our computational approach compared with experimental measurements
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