data points  median Cestimated/Cmeasured  Pearson’s correlation coefficient logCestimated vs logCmeasured  linear regression slope logCestimated vs logCmeasured
Aqueous Concentration Estimates            
Figure 1a estimates based on eq 1  204  8  0.90  0.88
log(Caq) = − 0.74·log(KOW) −  0.15 − log(fOC) + log(CS)            
Figure 1b estimates based on eqs 5 and 6  166  1/4  0.93  1.26
Cs =  (fOC − fBC)KAOCCaq + fBCKFr,BCCaq0.7            
log(KFr,BC) = 0.980*log(KOW) − 2.209            
Figure 3a estimates based on eqs 5, 9 and 10a  166  1  0.94  0.93
Cs =  (fOC − fBC)KAOCCaq + fBCKBC,linCaq            
log(KBC,lin) = 0.912·log(KOW) + 1.370            
log(KAOC) = 0.74·log(KOW) + 0.15            
Biolipid Concentration Estimates            
Figure 2a estimates based on eq 3  157  33  0.83  0.85
log(Clipid) = 0.17·log(KOW) + 0.35 − log(fOC) + log(CS)            
Figure 2b estimates based on eqs 5, 6 and 7  138  1/6  0.93  1.38
Cs =  (fOC − fBC)KAOCCaq + fBCKFr,BCCaq0.7            
log(KFr,BC) = 0.980·log(KOW) − 2.209            
Clipid ≈ KLIP· Caq            
Figure 2c estimates based on eq 4  99  1  0.90  1.04
log(Clipid) = 0.912·log(f6h) + 0.835            
Figure 2d estimates based on eq 2  135  1  0.84  0.97
log(Clipid) = 0.91·log(KOW) + 0.50 + log(Caq)            
Figure 3b estimates based on eqs 5, 9, 10a and (2)  138  1  0.92  0.98
Cs =  (fOC − fBC)KAOCCaq + fBCKBC,linCaq            
log(KBC,lin) = 0.912·log(KOW) + 1.370            
log(KAOC) = 0.74·log(KOW) + 0.15            
log(Clipid) = 0.91·log(KOW) + 0.50 + log(Caq)