Create a chemical compound object for FOCUS Step 1 calculations

Create a chemical compound object for FOCUS Step 1 calculations

chent_focus_sw(
  name,
  Koc,
  DT50_ws = NA,
  DT50_soil = NA,
  DT50_water = NA,
  DT50_sediment = NA,
  cwsat = 1000,
  mw = NA,
  max_soil = 1,
  max_ws = 1
)

Arguments

name

Length one character vector containing the name

Koc

Partition coefficient between organic carbon and water in L/kg.

DT50_ws

Half-life in water/sediment systems in days

DT50_soil

Half-life in soil in days

DT50_water

Half-life in water in days (Step 2)

DT50_sediment

Half-life in sediment in days (Step 2)

cwsat

Water solubility in mg/L

mw

Molar weight in g/mol.

max_soil

Maximum observed fraction (dimensionless) in soil

max_ws

Maximum observed fraction (dimensionless) in water/sediment systems

Value

A list with the substance specific properties