CAS Number: 83121-18-0
SMILES : Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(CL)c(F)c(CL)c2F
CHEM   : Teflubenzuron
MOL FOR: C14 H6 CL2 F4 N2 O2 
MOL WT : 381.12
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  4.64
    Log Kow (Exper. database match) =  4.56
       Exper. Ref:  SAITO,H ET AL. (1993)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  513.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  218.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.89E-011  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.32E-008  (Modified Grain method)
    MP  (exp database):  222.5 deg C
    VP  (exp database):  6.00E-12 mm Hg (8.00E-010 Pa) at 20 deg C
    Subcooled liquid VP: 5.39E-010 mm Hg (20 deg C, exp database VP )
                       : 7.18E-008 Pa  (20 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.5109
       log Kow used: 4.56 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.019 mg/L (23 deg C)
        Exper. Ref:  TOMLIN,C (1997)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.59828 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Imides
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.20E-011  atm-m3/mole  (1.22E-006 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.58E-10  atm-m3/mole  (1.60E-005 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:  9.708E-011 atm-m3/mole  (9.836E-006 Pa-m3/mole)
      VP:   9.89E-011 mm Hg (source: MPBPVP)
      WS:   0.511 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.56  (exp database)
  Log Kaw used:  -8.190  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  12.750
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -3.0387
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.3160  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0210  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3069
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3502
 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):  7.19E-008 Pa (5.39E-010 mm Hg)
  Log Koa (Koawin est  ): 12.750
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  41.7 
       Octanol/air (Koa) model:  1.38 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.991 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.1940 E-12 cm3/molecule-sec
      Half-Life =     1.727 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    20.722 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      0.991 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2074  L/kg (MCI method)
      Log Koc:  3.317       (MCI method)
      Koc    :  1536  L/kg (Kow method)
      Log Koc:  3.186       (Kow method)
 
 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 = 2.676 (BCF = 473.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2986 days (HL = 0.5028 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.304 (BCF = 201.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.304 (BAF = 201.6)
       log Kow used: 4.56 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.58E-010 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 7.234E+006  hours   (3.014E+005 days)
    Half-Life from Model Lake : 7.892E+007  hours   (3.288E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:              59.15  percent
    Total biodegradation:        0.55  percent
    Total sludge adsorption:    58.60  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       0.0232          41.4         1000       
   Water     4.63            4.32e+003    1000       
   Soil      94.5            8.64e+003    1000       
   Sediment  0.888           3.89e+004    0          
     Persistence Time: 7.35e+003 hr