CAS Number: 90052-75-8
SMILES : CCCCCCCCC(COC(=O)CCCCCCCCCCC(OC(=O)CCCCCCCCCCCCCCCCC)CCCCCC)CCCCCCCCC
         C
CHEM   : Octadecanoic acid, 12-[(1-oxooctadecyl)oxy]-, 2-octyldodecylester
MOL FOR: C56 H110 O4 
MOL WT : 847.50
------------------------------ EPI SUMMARY (v4.10) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  24.81
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  773.74  (Adapted Stein & Brown method)
    Melting Pt (deg C):  340.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.4E-019  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.86E-017  (Modified Grain method)
    Subcooled liquid VP: 1.7E-015 mm Hg (25 deg C, Mod-Grain method)
                       : 2.27E-013 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.313e-021
       log Kow used: 24.81 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.475e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.87E-001  atm-m3/mole  (7.98E+004 Pa-m3/mole)
   Group Method:   3.70E+000  atm-m3/mole  (3.75E+005 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:  4.821E+005 atm-m3/mole  (4.885E+010 Pa-m3/mole)
      VP:   1E-015 mm Hg (source: MPBPVP)
      WS:   2.31E-021 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  24.81  (KowWin est)
  Log Kaw used:  1.508  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  23.302
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1262
   Biowin2 (Non-Linear Model)     :   0.9985
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8001  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1592  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1506
   Biowin6 (MITI Non-Linear Model):   0.9691
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5064
 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):  2.27E-013 Pa (1.7E-015 mm Hg)
  Log Koa (Koawin est  ): 23.302
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.32E+007 
       Octanol/air (Koa) model:  4.92E+010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  74.0559 E-12 cm3/molecule-sec
      Half-Life =     0.144 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.733 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1E+010  L/kg (MCI method)
      Log Koc:  13.418      (MCI method)
      Koc    :  3.289E+014  L/kg (Kow method)
      Log Koc:  14.517      (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.236E-002  L/mol-sec
  Kb Half-Life at pH 8:     358.761  days   
  Kb Half-Life at pH 7:       9.822  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 4.2901 days (HL = 1.95e+004 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
       log Kow used: 24.81 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.7 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.971  hours
    Half-Life from Model Lake :      276.5  hours   (11.52 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       0.277           3.47         1000       
   Water     23              360          1000       
   Soil      76.7            720          1000       
   Sediment  2.1e-011        3.24e+003    0          
     Persistence Time: 502 hr