CAS Number: 122008-85-9
SMILES : O=C(C(C)Oc2ccc(cc2)Oc1c(cc(cc1)C(#N))F)OCCCC
CHEM   : Cyhalofop-butyl
MOL FOR: C20 H20 F1 N1 O4 
MOL WT : 357.38
------------------------------ 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) =  4.47
    Log Kow (Exper. database match) =  3.31
       Exper. Ref:  TOMLIN,C (2003)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  439.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  168.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.34E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.12E-005  (Modified Grain method)
    MP  (exp database):  50 deg C
    VP  (exp database):  9.00E-09 mm Hg (1.20E-006 Pa) at 20 deg C
    Subcooled liquid VP: 1.59E-008 mm Hg (20 deg C, exp database VP )
                       : 2.12E-006 Pa  (20 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.525
       log Kow used: 3.31 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.7 mg/L (20 deg C)
        Exper. Ref:  TOMLIN,C (1997); pH 7
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.075612 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.11E-009  atm-m3/mole  (4.17E-004 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 6.05E-09  atm-m3/mole  (6.13E-004 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:  5.549E-008 atm-m3/mole  (5.623E-003 Pa-m3/mole)
      VP:   5.34E-007 mm Hg (source: MPBPVP)
      WS:   4.53 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.31  (exp database)
  Log Kaw used:  -6.607  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.917
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6208
   Biowin2 (Non-Linear Model)     :   0.9217
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2424  (months      )
   Biowin4 (Primary Survey Model) :   3.9326  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6281
   Biowin6 (MITI Non-Linear Model):   0.0123
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1312
 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):  2.12E-006 Pa (1.59E-008 mm Hg)
  Log Koa (Koawin est  ): 9.917
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.42 
       Octanol/air (Koa) model:  0.00203 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.981 
       Mackay model           :  0.991 
       Octanol/air (Koa) model:  0.14 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.6839 E-12 cm3/molecule-sec
      Half-Life =     0.472 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.658 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.986 (Junge-Pankow, Mackay avg)
      0.14 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  6427  L/kg (MCI method)
      Log Koc:  3.808       (MCI method)
      Koc    :  1564  L/kg (Kow method)
      Log Koc:  3.194       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.015E-001  L/mol-sec
  Kb Half-Life at pH 8:      79.028  days   
  Kb Half-Life at pH 7:       2.164  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.851 (BCF = 70.95 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4906 days (HL = 0.3232 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.918 (BCF = 82.87)
   Log BAF Arnot-Gobas method (upper trophic) = 1.918 (BAF = 82.87)
       log Kow used: 3.31 (expkow database)
 
 Volatilization from Water:
    Henry LC:  6.05E-009 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.829E+005  hours   (7623 days)
    Half-Life from Model Lake : 1.996E+006  hours   (8.316E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               9.38  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     9.23  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       0.0263          11.3         1000       
   Water     8.68            1.44e+003    1000       
   Soil      87.1            2.88e+003    1000       
   Sediment  4.18            1.3e+004     0          
     Persistence Time: 2.78e+003 hr