To show the entropic effect on partition coefficient measured experimentally (log P exp ), we fetched experimentally measured entropy and partition coefficient of 14 molecules that commonly utilized as the solvents and ligands coated with CdSe nanocrystals (shown in Figure ). It is interesting to find a relationship between the experimental partition coefficient (log P exp ) and the experimentally measured entropy (Figure ) and calculated entropy by the density functional theory (DFT) at the level of b3lyp/6-31g(d) (Figure )). A closer look at the individual contribution to entropy gives a conclusion that contribution from vibration increased a lot when partition coefficient increases. (Figure )) It is necessary to introduce the entropy effects from the low frequency vibrations into log P prediction. The Fig. (a) The selected molecules for building the correlation between the partition coefficient log P measured experimentally and the entropy (S) extracted from experiments (b), the total entropy (S QM total ) (c) calculated by quantum mechanism (QM), and individual entropy (d) came from three distinct contributions namely, vibrational motion (S QM vib ), translation motion (S QM trans ), and rotational motion (S QM rot ) colored in black, red and blue, respectively. Their corresponding experimental entropy were shown in parentheses in the unit of J • mol -1 K -1 . More details could be found in Table .