diflufenican

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.53
    Log Kow (Exper. database match) =  4.90
       Exper. Ref:  Tomlin,C (1997)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  478.20  (Adapted Stein & Brown method)
    Melting Pt (deg C):  202.41  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.01E-009  (Modified Grain method)
    MP  (exp database):  160 deg C
    VP  (exp database):  3.18E-08 mm Hg at 25 deg C
    Subcooled liquid VP: 6.88E-007 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.2171
       log Kow used: 4.90 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.05 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1997); <0.05 mg/L

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.5512 mg/L
    Wat Sol (Exper. database match) =  0.05
       Exper. Ref:  TOMLIN,C (1997); <0.05 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.77E-012  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 3.25E-07  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.583E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.90  (exp database)
  Log Kaw used:  -4.877  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.777
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.3931
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.6745  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.2952  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0035
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1330
 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):  9.17E-005 Pa (6.88E-007 mm Hg)
  Log Koa (Koawin est  ): 9.777
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0327 
       Octanol/air (Koa) model:  0.00147 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.542 
       Mackay model           :  0.723 
       Octanol/air (Koa) model:  0.105 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.1962 E-12 cm3/molecule-sec
      Half-Life =     3.346 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    40.158 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.633 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.099E+005
      Log Koc:  5.041 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.073 (BCF = 1183)
       log Kow used: 4.90 (expkow database)

 Volatilization from Water:
    Henry LC:  3.25E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       3579  hours   (149.1 days)
    Half-Life from Model Lake : 3.921E+004  hours   (1634 days)

 Removal In Wastewater Treatment:
    Total removal:              74.29  percent
    Total biodegradation:        0.65  percent
    Total sludge adsorption:    73.63  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       0.0991          80.3         1000       
   Water     3.56            4.32e+003    1000       
   Soil      82.5            8.64e+003    1000       
   Sediment  13.8            3.89e+004    0          
     Persistence Time: 7.62e+003 hr