CAS Number: 94-75-7
SMILES : O=C(O)COc(c(cc(c1)CL)CL)c1
CHEM   : Acetic acid, (2,4-dichlorophenoxy)-
MOL FOR: C8 H6 CL2 O3 
MOL WT : 221.04
------------------------------ 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) =  2.62
    Log Kow (Exper. database match) =  2.81
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  329.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  109.13  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.79E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00372  (Modified Grain method)
    MP  (exp database):  140.5 deg C
    BP  (exp database):  160 @ 0.4 mm Hg deg C
    VP  (exp database):  8.25E-05 mm Hg (1.10E-002 Pa) at 20 deg C
    Subcooled liquid VP: 0.00114 mm Hg (20 deg C, exp database VP )
                       : 0.153 Pa  (20 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  336.2
       log Kow used: 2.81 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  677 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  679.77 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.21E-009  atm-m3/mole  (9.33E-004 Pa-m3/mole)
   Group Method:   5.48E-008  atm-m3/mole  (5.55E-003 Pa-m3/mole)
   Exper Database: 3.54E-08  atm-m3/mole  (3.59E-003 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:  2.414E-008 atm-m3/mole  (2.446E-003 Pa-m3/mole)
      VP:   2.79E-005 mm Hg (source: MPBPVP)
      WS:   336 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.81  (exp database)
  Log Kaw used:  -5.839  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.649
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4821
   Biowin2 (Non-Linear Model)     :   0.2193
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6040  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6608  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5174
   Biowin6 (MITI Non-Linear Model):   0.2599
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1360
 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):  0.152 Pa (0.00114 mm Hg)
  Log Koa (Koawin est  ): 8.649
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.97E-005 
       Octanol/air (Koa) model:  0.000109 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000712 
       Mackay model           :  0.00158 
       Octanol/air (Koa) model:  0.00868 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.6262 E-12 cm3/molecule-sec
      Half-Life =     1.614 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.370 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00114 (Junge-Pankow, Mackay avg)
      0.00868 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  29.63  L/kg (MCI method)
      Log Koc:  1.472       (MCI method)
      Koc    :  58.34  L/kg (Kow method)
      Log Koc:  1.766       (Kow method)
       Experimental Log Koc:  1.66  (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0048 days (HL = 10.11 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.836 (BCF = 68.55)
   Log BAF Arnot-Gobas method (upper trophic) = 1.837 (BAF = 68.75)
       log Kow used: 2.81 (expkow database)
 
 Volatilization from Water:
    Henry LC:  3.54E-008 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 2.459E+004  hours   (1025 days)
    Half-Life from Model Lake : 2.684E+005  hours   (1.118E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.37  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.25  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       0.297           38.7         1000       
   Water     27.2            900          1000       
   Soil      72.4            1.8e+003     1000       
   Sediment  0.0903          8.1e+003     0          
     Persistence Time: 1.19e+003 hr