CAS Number: 80-43-3
SMILES : O(OC(c(cccc1)c1)(C)C)C(c(cccc2)c2)(C)C
CHEM   : Peroxide, bis(1-methyl-1-phenylethyl)
MOL FOR: C18 H22 O2 
MOL WT : 270.37
------------------------------ 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) =  5.88
    Log Kow (Exper. database match) =  5.50
       Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  341.08  (Adapted Stein & Brown method)
    Melting Pt (deg C):  103.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.51E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.001  (Modified Grain method)
    MP  (exp database):  40.6 deg C
    BP  (exp database):  396 deg C
    Subcooled liquid VP: 1.04E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00139 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.3653
       log Kow used: 5.50 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.46 mg/L (25 deg C)
        Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.063511 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Peroxy Acids
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.42E-005  atm-m3/mole  (4.48E+000 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:  7.314E-006 atm-m3/mole  (7.411E-001 Pa-m3/mole)
      VP:   7.51E-006 mm Hg (source: MPBPVP)
      WS:   0.365 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.50  (exp database)
  Log Kaw used:  -2.743  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.243
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5071
   Biowin2 (Non-Linear Model)     :   0.3365
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2215  (months      )
   Biowin4 (Primary Survey Model) :   3.1606  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1268
   Biowin6 (MITI Non-Linear Model):   0.0391
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6686
 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):  0.00139 Pa (1.04E-005 mm Hg)
  Log Koa (Koawin est  ): 8.243
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00216 
       Octanol/air (Koa) model:  4.3E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0725 
       Mackay model           :  0.148 
       Octanol/air (Koa) model:  0.00342 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.2606 E-12 cm3/molecule-sec
      Half-Life =     1.155 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.860 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.11 (Junge-Pankow, Mackay avg)
      0.00342 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.229E+005  L/kg (MCI method)
      Log Koc:  5.509       (MCI method)
      Koc    :  5.93E+004  L/kg (Kow method)
      Log Koc:  4.773       (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 = 3.296 (BCF = 1977 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4455 days (HL = 2.789 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.584 (BCF = 383.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.591 (BAF = 389.9)
       log Kow used: 5.50 (expkow database)
 
 Volatilization from Water:
    Henry LC:  4.42E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      23.46  hours
    Half-Life from Model Lake :      393.8  hours   (16.41 days)
 
 Removal In Wastewater Treatment:
    Total removal:              88.32  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    87.43  percent
    Total to Air:                0.15  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.289           27.7         1000       
   Water     3.24            1.44e+003    1000       
   Soil      40.6            2.88e+003    1000       
   Sediment  55.9            1.3e+004     0          
     Persistence Time: 3.47e+003 hr