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. 2017 Dec;45:241–248. doi: 10.1016/j.tiv.2017.06.015

Table 2.

Physicochemical parameters (EPI Suite predictions) for estragole, used as input to the VCBA.

Chem. name Cas # Log Kow Molar volume(cm3 mol-1) Atomic diffusion
Estragole 140-67-0 3.47 136.99 93.56



MW (g mol-1) Water degradation(s-1) Air degradation (s-1) Henry constant (Pa m3 mol-1)
148.2 2.14E-07 4.91E-05 4.68E + 01



NEC (g gww-1) kr (s-1)
0.00533 0.0469