Table 6.

Comparison of solvation parameters σ_i (cal mol⁻¹Å⁻²) and η (cal mol⁻¹ D⁻¹) obtained by fitting for individual solvents (“indiv. solv.”), by using universal model (eq. 10 and coefficients from Table 5), and σ_i from the previous model (“OPM”). Parameters of universal model were obtained using three datasets: data for nonpolar solvents (“nonp”), data for all solvents (“all”) and randomly selected 90% of all data (“90%”)

Parameter	HDC→WAT				OCT→WAT				DCD→WAT
	indiv. solv.	Universal model			indiv. solv.	Universal model			OPM
		nonp	all	90%		Nonp	all	90%
σCsp3	20 ± 1	20	21	20	17 ± 1	18	18	18	25
σCsp2	20 ± 1	20	20	20	19 ± 1	18	18	18	19
σCsp3pol	0 ± 3	0	0	0	2 ± 2	0	0	0	-
σS	12± 5	7	6	7	8 ± 3	5	4	4	−13
σCsp1	3 ± 5	2	2	2	6 ± 4	2	2	2	-
σN≡	2 ± 9	0	−1	−1	3 ± 6	0	−1	−1	-
σF	12 ± 4	13	15	15	9 ± 4	11	12	12	-
σCl	17 ± 2	18	18	18	16 ± 2	16	15	15	-
σBr	20 ± 5	21	21	22	17 ± 5	19	18	19	-
σI	23 ± 4	22	21	21	19 ± 3	20	18	18	-
σN/NH	−44 ± 5	−42, −54	−41, −57	−41, −62	−11 ± 3	−4, −14	−4, −11	−5, −13	−55
σOH	−55 ± 4	−61	−58	−58	−3 ± 3	0	−4	−3	−63
σO	−32± 7	−41	−42	−42	−2 ± 4	−10	−11	−12	−63
η	−943 ± 119	−880	−843	−845	−578 ± 64	−557	−534	−535	0
rmse	0.62	0.81	0.82	0.82	0.59	0.81	0.82	0.82
Ndata	93	863	1164	1048	139	863	1164	1048

Abbreviations of solvent names: HDC, hydrocarbon; OCT, octanol; DCD, 1,9-decadiene.