CAS Number: 330-55-2
SMILES : O=C(N(OC)C)Nc(ccc(c1CL)CL)c1
CHEM   : Linuron
MOL FOR: C9 H10 CL2 N2 O2 
MOL WT : 249.10
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  2.91
    Log Kow (Exper. database match) =  3.20
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  365.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  137.23  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.21E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00162  (Modified Grain method)
    MP  (exp database):  93 deg C
    VP  (exp database):  1.43E-06 mm Hg (1.91E-004 Pa) at 25 deg C
    Subcooled liquid VP: 6.73E-006 mm Hg (25 deg C, exp database VP )
                       : 0.000897 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  44.27
       log Kow used: 3.20 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  75 mg/L (25 deg C)
        Exper. Ref:  USDA PESTICIDE PROPERTIES DATABASE
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  81.998 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Substituted Ureas
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.15E-008  atm-m3/mole  (1.17E-003 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 6.25E-09  atm-m3/mole  (6.33E-004 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  8.959E-008 atm-m3/mole  (9.077E-003 Pa-m3/mole)
      VP:   1.21E-005 mm Hg (source: MPBPVP)
      WS:   44.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.20  (exp database)
  Log Kaw used:  -6.593  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.793
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2641
   Biowin2 (Non-Linear Model)     :   0.0104
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2355  (months      )
   Biowin4 (Primary Survey Model) :   3.1577  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0089
   Biowin6 (MITI Non-Linear Model):   0.0090
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4139
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.000897 Pa (6.73E-006 mm Hg)
  Log Koa (Koawin est  ): 9.793
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00334 
       Octanol/air (Koa) model:  0.00152 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.108 
       Mackay model           :  0.211 
       Octanol/air (Koa) model:  0.109 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.3436 E-12 cm3/molecule-sec
      Half-Life =     1.034 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.409 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.159 (Junge-Pankow, Mackay avg)
      0.109 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  339.8  L/kg (MCI method)
      Log Koc:  2.531       (MCI method)
      Koc    :  438  L/kg (Kow method)
      Log Koc:  2.641       (Kow method)
       Experimental Log Koc:  2.7  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.778 (BCF = 60.03 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8299 days (HL = 0.1479 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.548 (BCF = 35.3)
   Log BAF Arnot-Gobas method (upper trophic) = 1.548 (BAF = 35.3)
       log Kow used: 3.20 (expkow database)
 
 Volatilization from Water:
    Henry LC:  6.25E-009 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.479E+005  hours   (6160 days)
    Half-Life from Model Lake : 1.613E+006  hours   (6.721E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.80  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.66  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0306          24.8         1000       
   Water     11.4            1.44e+003    1000       
   Soil      88.3            2.88e+003    1000       
   Sediment  0.237           1.3e+004     0          
     Persistence Time: 2.54e+003 hr