CAS Number: 75587-06-3
SMILES : CCCCCCCCCC(=O)OOCC
CHEM   : ethyl decaneperoxoate
MOL FOR: C12 H24 O3 
MOL WT : 216.32
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  4.49
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  265.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  28.89  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.011  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.47  (Modified Grain method)
    Subcooled liquid VP: 0.0119 mm Hg (25 deg C, Mod-Grain method)
                       : 1.59 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.239
       log Kow used: 4.49 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.8345 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Peroxy Esters 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.69E-003  atm-m3/mole  (5.76E+002 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:  5.976E-004 atm-m3/mole  (6.055E+001 Pa-m3/mole)
      VP:   0.011 mm Hg (source: MPBPVP)
      WS:   5.24 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.49  (KowWin est)
  Log Kaw used:  -0.633  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.123
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7530
   Biowin2 (Non-Linear Model)     :   0.8558
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0195  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8047  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5141
   Biowin6 (MITI Non-Linear Model):   0.5461
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5931
 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):  1.59 Pa (0.0119 mm Hg)
  Log Koa (Koawin est  ): 5.123
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.89E-006 
       Octanol/air (Koa) model:  3.26E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.83E-005 
       Mackay model           :  0.000151 
       Octanol/air (Koa) model:  2.61E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.2518 E-12 cm3/molecule-sec
      Half-Life =     0.951 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.407 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00011 (Junge-Pankow, Mackay avg)
      2.61E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  638  L/kg (MCI method)
      Log Koc:  2.805       (MCI method)
      Koc    :  1511  L/kg (Kow method)
      Log Koc:  3.179       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.402E+002  L/mol-sec
  Kb Half-Life at pH 8:      48.089  minutes
  Kb Half-Life at pH 7:       8.015  hours  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.257 (BCF = 18.08 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0311 days (HL = 1.074 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.598 (BCF = 396.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.599 (BAF = 396.9)
       log Kow used: 4.49 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00569 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.652  hours
    Half-Life from Model Lake :      141.3  hours   (5.89 days)
 
 Removal In Wastewater Treatment:
    Total removal:              80.93  percent
    Total biodegradation:        0.28  percent
    Total sludge adsorption:    42.37  percent
    Total to Air:               38.27  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.81            22.8         1000       
   Water     29.1            360          1000       
   Soil      62.4            720          1000       
   Sediment  0.699           3.24e+003    0          
     Persistence Time: 217 hr