CAS Number: 42874-03-3
SMILES : CLc1cc(C(F)(F)F)ccc1Oc2cc(OCC)c(N(=O)(=O))cc2
CHEM   : Oxyfluorfen
MOL FOR: C15 H11 CL1 F3 N1 O4 
MOL WT : 361.71
------------------------------ 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) =  5.21
    Log Kow (Exper. database match) =  4.73
       Exper. Ref:  NANDIHALLI,UB ET AL. (1993)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  395.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  156.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.3E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00306  (Modified Grain method)
    MP  (exp database):  84 deg C
    BP  (exp database):  358.2 deg C
    VP  (exp database):  2.00E-07 mm Hg (2.67E-005 Pa) at 25 deg C
    Subcooled liquid VP: 7.67E-007 mm Hg (25 deg C, exp database VP )
                       : 0.000102 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.1958
       log Kow used: 4.73 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.116 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1994)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.010126 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.35E-007  atm-m3/mole  (2.38E-002 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 8.20E-07  atm-m3/mole  (8.31E-002 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:  5.591E-005 atm-m3/mole  (5.665E+000 Pa-m3/mole)
      VP:   2.3E-005 mm Hg (source: MPBPVP)
      WS:   0.196 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.73  (exp database)
  Log Kaw used:  -4.475  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.205
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1687
   Biowin2 (Non-Linear Model)     :   0.0004
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.3945  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.9320  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0036
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0504
 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):  0.000102 Pa (7.67E-007 mm Hg)
  Log Koa (Koawin est  ): 9.205
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0293 
       Octanol/air (Koa) model:  0.000394 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.514 
       Mackay model           :  0.701 
       Octanol/air (Koa) model:  0.0305 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.5297 E-12 cm3/molecule-sec
      Half-Life =     0.928 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.132 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.608 (Junge-Pankow, Mackay avg)
      0.0305 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.99E+004  L/kg (MCI method)
      Log Koc:  4.601       (MCI method)
      Koc    :  7453  L/kg (Kow method)
      Log Koc:  3.872       (Kow method)
       Experimental Log Koc:  5  (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 = 2.788 (BCF = 613.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8580 days (HL = 7.211 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.271 (BCF = 1868)
   Log BAF Arnot-Gobas method (upper trophic) = 3.320 (BAF = 2088)
       log Kow used: 4.73 (expkow database)
 
 Volatilization from Water:
    Henry LC:  8.2E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1360  hours   (56.66 days)
    Half-Life from Model Lake : 1.499E+004  hours   (624.8 days)
 
 Removal In Wastewater Treatment:
    Total removal:              67.35  percent
    Total biodegradation:        0.60  percent
    Total sludge adsorption:    66.73  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.127           22.3         1000       
   Water     4.31            4.32e+003    1000       
   Soil      75.1            8.64e+003    1000       
   Sediment  20.4            3.89e+004    0          
     Persistence Time: 5.87e+003 hr