Table 1.

Partition Coefficients P and Distribution of Compounds in Bilayer

No.	Compound	log P			Fraction (%)a		Experiment
		C16/DAcPC	C16/W	O/W	Core	Headgroups	Preferred Locale	Method
1	n-hexadecane	6.774 ± 0.354	8.93	8.25	100	0	core74	neutron diffraction
2	benzene	2.189 ± 0.076	2.15	2.13	100	0	core75; headgroups76	2H and 31P NMR; 1H and 13C NMR
3	toluene	2.454 ± 0.189	2.68	2.73	100	0	core75	2H and 31P NMR
4	n-propylbenzene	2.984b	4.08	3.69	100	0	core19	1H and 13C NMR shifts
5	3-bromoaniline	1.669 ± 0.022	0.90	2.10	99	1	N/A	-
6	9-anthracenemethanol	0.217 ± 0.067	1.99	3.45	71	29	interface21	fluorescence quenching
7	4-bromophenol	0.192 ± 0.084	−0.10	2.59	70	30	N/A	-
8	benzamide	−0.122 ± 0.068	−2.30	0.64	53	47	N/A	-
9	2-hydroxybiphenyl	−0.152 ± 0.044	1.42	3.09	51	49	N/A	-
10	pyridine	−0.885 ± 0.016	−0.42	0.65	16	84	headgroups18	2H and 13C MAS NMR
11	2,6-dimethoxyphenol	−1.054 ± 0.025	−0.15	1.11	12	88	N/A	-
12	benzylalcohol	−1.179 ± 0.011	−0.43	1.10	9	91	headgroups19	1H and 13C NMR shifts
13	4-amino-3-methylphenol	−1.186 ± 0.121	−2.63	0.697	9	91	N/A	-
14	2,3-diaminonaphthtalene	−1.694 ± 0.073	−0.56	0.862	3	97	N/A	-
15	ethanol	−2.081 ± 0.002	−2.19	−0.31	1	99	headgroups77	2H and 31P NMR
16	bisphenol A	−2.697 ± 0.100	−0.46	3.32	0	100	c headgroups78	1H and 13C NMR shifts

^aEstimated using the P_C16/DAcPC value and the headgroups:core volume ratio 2:3.

^bEstimated using the fragment constant for methylene (= log P (3) − log P (2)) as log P (3) plus two methylene fragment values.²⁷

^cBisphenol A interacts also with the first two CH₂ segments of the fatty acid chains.