For comparison, the predictions from the EPI-Suite software provided by US-EPA were plotted against those from COSMOtherm (Figure ). The RMSE values for log Kow, log Kaw, and log Koa were 0.27, 2.50, and 2.56, respectively, showing a large discrepancy for Kaw and Koa. This result suggests that Kaw and Koa predictions by EPI-Suite are inaccurate for many neutral PFAS.