CAS Number: 103361-09-7
SMILES : Fc1cc2OCC(=O)N(CC#C)c2cc1N3C(=O)C(CCCC4)=C4C3(=O)
CHEM   : Flumioxazin
MOL FOR: C19 H15 F1 N2 O4 
MOL WT : 354.34
------------------------------ 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) =  1.34
    Log Kow (Exper. database match) =  2.55
       Exper. Ref:  USEPA Pesticide Fact Sheet; (2001)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  590.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  254.65  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.79E-012  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.38E-010  (Modified Grain method)
    MP  (exp database):  202.5 deg C
    VP  (exp database):  2.41E-06 mm Hg (3.21E-004 Pa) at 22 deg C
    Subcooled liquid VP: 0.000137 mm Hg (22 deg C, exp database VP )
                       : 0.0183 Pa  (22 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  38.74
       log Kow used: 2.55 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.79 mg/L (25 deg C)
        Exper. Ref:  USEPA Pesticide Fact Sheet; (2001)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  34.289 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Imides
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.17E-014  atm-m3/mole  (5.24E-009 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 6.28E-07  atm-m3/mole  (6.36E-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:  2.154E-014 atm-m3/mole  (2.183E-009 Pa-m3/mole)
      VP:   1.79E-012 mm Hg (source: MPBPVP)
      WS:   38.7 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.55  (exp database)
  Log Kaw used:  -4.590  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.140
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1109
   Biowin2 (Non-Linear Model)     :   0.0005
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8969  (months      )
   Biowin4 (Primary Survey Model) :   3.6325  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1617
   Biowin6 (MITI Non-Linear Model):   0.0005
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3187
 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):  0.0183 Pa (0.000137 mm Hg)
  Log Koa (Koawin est  ): 7.140
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000164 
       Octanol/air (Koa) model:  3.39E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0059 
       Mackay model           :  0.013 
       Octanol/air (Koa) model:  0.000271 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  56.7867 E-12 cm3/molecule-sec
      Half-Life =     0.188 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.260 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.396749 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.718 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00943 (Junge-Pankow, Mackay avg)
      0.000271 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1369  L/kg (MCI method)
      Log Koc:  3.136       (MCI method)
      Koc    :  208.4  L/kg (Kow method)
      Log Koc:  2.319       (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 = 1.349 (BCF = 22.36 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2951 days (HL = 0.5069 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.503 (BCF = 31.86)
   Log BAF Arnot-Gobas method (upper trophic) = 1.503 (BAF = 31.86)
       log Kow used: 2.55 (expkow database)
 
 Volatilization from Water:
    Henry LC:  6.28E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1757  hours   (73.2 days)
    Half-Life from Model Lake : 1.932E+004  hours   (805.2 days)
 
 Removal In Wastewater Treatment:
    Total removal:               3.28  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.14  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0527          2.04         1000       
   Water     13.8            1.44e+003    1000       
   Soil      84.9            2.88e+003    1000       
   Sediment  1.26            1.3e+004     0          
     Persistence Time: 1.68e+003 hr