CAS Number: 15435-29-7
SMILES : Oc(c(cc(c1)CL)Cc(c(O)c(cc2CL)Br)c2)c1Br
CHEM   : 
MOL FOR: C13 H8 Br2 CL2 O2 
MOL WT : 426.92
------------------------------ 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) =  6.12
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  450.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  189.58  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.97E-010  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.96E-008  (Modified Grain method)
    Subcooled liquid VP: 1.57E-008 mm Hg (25 deg C, Mod-Grain method)
                       : 2.1E-006 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0466
       log Kow used: 6.12 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.5678 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.53E-013  atm-m3/mole  (4.59E-008 Pa-m3/mole)
   Group Method:   1.81E-013  atm-m3/mole  (1.84E-008 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:  3.580E-009 atm-m3/mole  (3.628E-004 Pa-m3/mole)
      VP:   2.97E-010 mm Hg (source: MPBPVP)
      WS:   0.0466 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.12  (KowWin est)
  Log Kaw used:  -10.732  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.852
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2451
   Biowin2 (Non-Linear Model)     :   0.0003
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6084  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.6049  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1064
   Biowin6 (MITI Non-Linear Model):   0.0027
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3105
 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):  2.09E-006 Pa (1.57E-008 mm Hg)
  Log Koa (Koawin est  ): 16.852
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.43 
       Octanol/air (Koa) model:  1.75E+004 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.981 
       Mackay model           :  0.991 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.1681 E-12 cm3/molecule-sec
      Half-Life =     2.566 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    30.794 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.986 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.086E+005  L/kg (MCI method)
      Log Koc:  5.036       (MCI method)
      Koc    :  4.405E+004  L/kg (Kow method)
      Log Koc:  4.644       (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 = 3.708 (BCF = 5101 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0951 days (HL = 0.8033 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.423 (BCF = 264.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.442 (BAF = 276.7)
       log Kow used: 6.12 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.81E-013 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 6.684E+009  hours   (2.785E+008 days)
    Half-Life from Model Lake : 7.291E+010  hours   (3.038E+009 days)
 
 Removal In Wastewater Treatment:
    Total removal:              92.60  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.83  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       1.67e-005       61.6         1000       
   Water     2.16            4.32e+003    1000       
   Soil      73.4            8.64e+003    1000       
   Sediment  24.5            3.89e+004    0          
     Persistence Time: 1.07e+004 hr