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. Author manuscript; available in PMC: 2012 Apr 25.
Published in final edited form as: J Chem Inf Model. 2011 Mar 25;51(4):918–929. doi: 10.1021/ci2000192

Table 3.

Correlation coefficient (R2) in linear dependencies of atomic solvation parameters (σi) on solvent polarity descroptors: hydrogen bonding acidity (a) and basicity (β) parameters, logarithm of water concentration in wet solvents (logCw,), solvatochromic parameter (π*), function of refraction index n: (F(n)= (n2−1)/(n2+1)); and dielectric functions: 1/ε (ΔF1(ε)), Kirkwood function (ΔF2(ε)), Block-Walker function (ΔFBW(ε))

Parameter α β α + β logCw π* F(n) ΔF1(ε) ΔF2(ε) ΔFBW(ε)
σCsp3 0.55 0.44 0.73 0.71 0 0.21 0.39 0.39 0.40
σCsp2 0.13 0.12 0.18 0.04 0.47 0.37 0 0 0
σN/NH 0.85 0.29 0.85 0.88 0.36 0.20 0.70 0.77 0.91
σOH 0.44 0.86 0.85 0.71 0.05 0.16 0.37 0.38 0.42
σO 0.36 0.75 0.72 0.78 0.17 0.10 0.58 0.56 0.47