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Table 4 Comparison of measured water solubility with model predictions (µg/L)

From: Inter-laboratory comparison of water solubility methods applied to difficult-to-test substances

Compound This study 20 °C SpARC (v4.2) 20 °C EPISuite (25 °C) ACD/Labs (25 °C) (v11.02)
WSKOW (v1.41) Fragments (v1.01)
Dodecahydrotriphenylene 2.6 (2.1–3.2)
n = 4
0.37 4.9 26 55
n-Hexylcyclohexane 14 (11–16)
n = 5
8.8 124 61 19
  1. Values in parenthesis represent range of measured water solubility values