CAS Num: 008002-31-1
SMILES : CCCCCCCCCCCCCCCC(=O)(OCC(OC(=O)(CCCCCCCCCCCCCCCCC))COC(=O)(CCCCCCCC=C
         CCCCCCCC))
CHEM   : Cocoa butter
MOL FOR: C55 H104 O6 
MOL WT : 861.44
------------------------------ 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) =  22.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  798.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.84E-020  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.12E-018  (Modified Grain method)
    Subcooled liquid VP: 3.51E-016 mm Hg (25 deg C, Mod-Grain method)
                       : 4.67E-014 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.099e-019
       log Kow used: 22.74 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.6144e-007 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.05E-004  atm-m3/mole  (7.14E+001 Pa-m3/mole)
   Group Method:   1.07E-004  atm-m3/mole  (1.08E+001 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:  1.031E+004 atm-m3/mole  (1.045E+009 Pa-m3/mole)
      VP:   1E-015 mm Hg (source: MPBPVP)
      WS:   1.1E-019 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  22.74  (KowWin est)
  Log Kaw used:  -1.540  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  24.280
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1853
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6112  (weeks-months)
   Biowin4 (Primary Survey Model) :   4.0990  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.4166
   Biowin6 (MITI Non-Linear Model):   0.9916
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0424
 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):  4.68E-014 Pa (3.51E-016 mm Hg)
  Log Koa (Koawin est  ): 24.280
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.41E+007 
       Octanol/air (Koa) model:  4.68E+011 
   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 = 122.9563 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 130.5563 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.044 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.983 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   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:  13.659      (MCI method)
      Koc    :  2.356E+013  L/kg (Kow method)
      Log Koc:  13.372      (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.455E-001  L/mol-sec
  Kb Half-Life at pH 8:      55.135  days   
  Kb Half-Life at pH 7:       1.510  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.9176 days (HL = 827.2 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: 22.74 (estimated)

 Volatilization from Water:
    Henry LC:  0.000107 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      19.05  hours
    Half-Life from Model Lake :        454  hours   (18.92 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       0.0438          1.05         1000       
   Water     17.4            900          1000       
   Soil      82.6            1.8e+003     1000       
   Sediment  3.78e-009       8.1e+003     0          
     Persistence Time: 1.09e+003 hr