CAS Num: 000094-36-0
SMILES : O=C(OOC(=O)c(cccc1)c1)c(cccc2)c2
CHEM   : Peroxide, dibenzoyl
MOL FOR: C14 H10 O4 
MOL WT : 242.23
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.43
    Log Kow (Exper. database match) =  3.46
       Exper. Ref:  SANGSTER (1993)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  328.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -2.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.97E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0093  (Modified Grain method)
    MP  (exp database):  105 deg C
    Subcooled liquid VP: 0.000423 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0563 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  28.97
       log Kow used: 3.46 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  9.1 mg/L (25 deg C)
        Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  394.52 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Peroxy Esters 

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.54E-006  atm-m3/mole  (3.59E-001 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  7.668E-007 atm-m3/mole  (7.770E-002 Pa-m3/mole)
      VP:   6.97E-005 mm Hg (source: MPBPVP)
      WS:   29 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.46  (exp database)
  Log Kaw used:  -3.839  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.299
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8884
   Biowin2 (Non-Linear Model)     :   0.9596
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7079  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5080  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0737
   Biowin6 (MITI Non-Linear Model):   0.0368
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3181
 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):  0.0564 Pa (0.000423 mm Hg)
  Log Koa (Koawin est  ): 7.299
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.32E-005 
       Octanol/air (Koa) model:  4.89E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00192 
       Mackay model           :  0.00424 
       Octanol/air (Koa) model:  0.000391 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.5549 E-12 cm3/molecule-sec
      Half-Life =     3.009 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    36.105 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00308 (Junge-Pankow, Mackay avg)
      0.000391 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  91.77  L/kg (MCI method)
      Log Koc:  1.963       (MCI method)
      Koc    :  240.1  L/kg (Kow method)
      Log Koc:  2.380       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.433E+004  L/mol-sec
  Kb Half-Life at pH 8:      12.758  seconds
  Kb Half-Life at pH 7:       2.126  minutes
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.950 (BCF = 89.11 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4929 days (HL = 0.3214 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.971 (BCF = 93.49)
   Log BAF Arnot-Gobas method (upper trophic) = 1.971 (BAF = 93.49)
       log Kow used: 3.46 (expkow database)

 Volatilization from Water:
    Henry LC:  3.54E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:        259  hours   (10.79 days)
    Half-Life from Model Lake :       2956  hours   (123.2 days)

 Removal In Wastewater Treatment:
    Total removal:              12.32  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    11.97  percent
    Total to Air:                0.18  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.81            72.2         1000       
   Water     24.4            900          1000       
   Soil      73.6            1.8e+003     1000       
   Sediment  0.154           8.1e+003     0          
     Persistence Time: 934 hr