Prediction of biodegradability for selected organic chemicals

Abstract

The 5-day BODs of 45 organic chemicals were determined using acclimated mixed microbial cultures. These chemicals included alcohols, acids, esters, ketones, aromatics and miscellaneous compounds. The BOD data were correlated with (1) water solubilities, (2) log of 1-octanol/water partition coefficients, (3) molar refractivities and volumes, (4) melting (m.p.) and boiling points, (5) number of carbon (C No.), hydrogen and oxygen atoms, (6) molecular weights, and (7) theoretical (Th) BODs of chemicals. Linear and secondorder polynomial regression analyses were used; the latter was also attempted with two or more independent variables. All prediction equations were compared for statistical merits. The equations, one from each regression type, with the highest prediction power were: log 5-day mmol BOD/mmol chemical=(1)−0.183+0.813 (log ThBOD), (2)−0.391+1.560 (log ThBOD) −0.532 (log ThBOD)², and (3) −0.4060+0.2470 (C No.) −0.0133 (C No.)²−0.0005 (m.p.). The measured BOD data for 43 additional chemicals were compared with the predicted values calculated through the above equations. The three equations predicted the BODs for 84–88% of the test chemicals within 80% of the experimental values. The mean percent relative standard deviations between predicted and experimental BOD values were statistically compared for these equations, and no significant difference (P≤0.01) in their predictive utility was found. The acclimation potential of an autochthonous microbial community cannot yet be predicted, but this study demonstrates that the process of active biodegradation for structurally dissimilar chemicals appears to correlate quantitatively with certain physicochemical parameters.