CAS Number: 62924-70-3
SMILES : N(=O)(=O)c1cc(C(F)(F)F)cc(N(=O)(=O))c1N(CC)Cc2c(F)cccc2CL
CHEM   : Flumetralin
MOL FOR: C16 H12 CL1 F4 N3 O4 
MOL WT : 421.74
------------------------------ 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) =  6.09
    Log Kow (Exper. database match) =  5.45
       Exper. Ref:  TOMLIN,C (1997)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  447.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  188.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.34E-005  (Modified Grain method)
    MP  (exp database):  102 deg C
    VP  (exp database):  2.40E-07 mm Hg (3.20E-005 Pa) at 25 deg C
    Subcooled liquid VP: 1.39E-006 mm Hg (25 deg C, exp database VP )
                       : 0.000185 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.04972
       log Kow used: 5.45 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.07 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1994)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0018307 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Polynitrobenzenes
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.32E-006  atm-m3/mole  (6.41E-001 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.90E-06  atm-m3/mole  (1.93E-001 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:  1.116E-006 atm-m3/mole  (1.131E-001 Pa-m3/mole)
      VP:   1E-007 mm Hg (source: MPBPVP)
      WS:   0.0497 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.45  (exp database)
  Log Kaw used:  -4.110  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.560
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.7814
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.5467  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.3082  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.8916
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.6072
 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):  0.000185 Pa (1.39E-006 mm Hg)
  Log Koa (Koawin est  ): 9.560
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0162 
       Octanol/air (Koa) model:  0.000891 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.369 
       Mackay model           :  0.564 
       Octanol/air (Koa) model:  0.0666 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.6366 E-12 cm3/molecule-sec
      Half-Life =     0.545 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.536 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.467 (Junge-Pankow, Mackay avg)
      0.0666 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.716E+005  L/kg (MCI method)
      Log Koc:  5.434       (MCI method)
      Koc    :  2.054E+004  L/kg (Kow method)
      Log Koc:  4.313       (Kow method)
       Experimental Log Koc:  4.78  (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 = 3.263 (BCF = 1832 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0676 days (HL = 0.8558 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.529 (BCF = 338.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.534 (BAF = 342)
       log Kow used: 5.45 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.9E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      634.9  hours   (26.45 days)
    Half-Life from Model Lake :       7099  hours   (295.8 days)
 
 Removal In Wastewater Treatment:
    Total removal:              87.62  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    86.87  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       0.0555          13.1         1000       
   Water     1.86            4.32e+003    1000       
   Soil      52.1            8.64e+003    1000       
   Sediment  46              3.89e+004    0          
     Persistence Time: 8.64e+003 hr