CAS Number: 105-74-8
SMILES : O=C(OOC(=O)CCCCCCCCCCC)CCCCCCCCCCC
CHEM   : Peroxide, bis(1-oxododecyl)
MOL FOR: C24 H46 O4 
MOL WT : 398.63
------------------------------ 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) =  10.34
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  416.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  56.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.99E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000266  (Modified Grain method)
    MP  (exp database):  49 deg C
    Subcooled liquid VP: 3.31E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000441 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.573e-006
       log Kow used: 10.34 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.153e-005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Peroxy Esters 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.61E-002  atm-m3/mole  (2.65E+003 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:  2.282E-001 atm-m3/mole  (2.313E+004 Pa-m3/mole)
      VP:   1.99E-006 mm Hg (source: MPBPVP)
      WS:   4.57E-006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.34  (KowWin est)
  Log Kaw used:  0.028  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.312
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7746
   Biowin2 (Non-Linear Model)     :   0.7380
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9149  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8107  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5154
   Biowin6 (MITI Non-Linear Model):   0.4125
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5613
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.000441 Pa (3.31E-006 mm Hg)
  Log Koa (Koawin est  ): 10.312
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0068 
       Octanol/air (Koa) model:  0.00504 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.197 
       Mackay model           :  0.352 
       Octanol/air (Koa) model:  0.287 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.9532 E-12 cm3/molecule-sec
      Half-Life =     0.412 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.946 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.275 (Junge-Pankow, Mackay avg)
      0.287 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.414E+004  L/kg (MCI method)
      Log Koc:  4.533       (MCI method)
      Koc    :  1.534E+006  L/kg (Kow method)
      Log Koc:  6.186       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.099E+004  L/mol-sec
  Kb Half-Life at pH 8:      16.911  seconds
  Kb Half-Life at pH 7:       2.818  minutes
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.889 (BCF = 77.38 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.6622 days (HL = 45.94 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.665 (BCF = 4.625)
   Log BAF Arnot-Gobas method (upper trophic) = 3.659 (BAF = 4563)
       log Kow used: 10.34 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0261 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.082  hours
    Half-Life from Model Lake :      190.1  hours   (7.922 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.99            9.89         1000       
   Water     25.8            360          1000       
   Soil      73.1            720          1000       
   Sediment  0.024           3.24e+003    0          
     Persistence Time: 444 hr