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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 4.

Correlation coefficient (R2) in linear dependencies of dipolar solvation (η) parameter on solvatochromic polarity parameter π* or functions describing dielectric properties of solvents: 1/ε (ΔF1(ε)), Kirkwood function (ΔF2(ε)) and Block-Walker function (ΔFBW(ε))

Parameter Solvent-water
Vapor-solvent
π* ΔF1(ε) ΔF2(ε) ΔFBW(ε) π* ΔFBW(ε)
η (μ1 model) 0.88 0.15 0.47 0.85 0.88 0.85
η (μ2 model) 0.59 −0.19 −0.28 0.65 0.59 0.82