CAS Number: 85536-06-7
SMILES : CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC
CHEM   : Glycerides, C8-18
MOL FOR: C27 H50 O6 
MOL WT : 470.70
------------------------------ 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) =  9.20
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  470.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  112.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0669  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  8.91  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  10 deg C
    BP  (exp database):  233 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.524e-005
       log Kow used: 9.20 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.4 mg/L (37 deg C)
        Exper. Ref:  FUNASAKI,N ET AL. (1976)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.6091e-005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.87E-007  atm-m3/mole  (2.91E-002 Pa-m3/mole)
   Group Method:   2.56E-008  atm-m3/mole  (2.60E-003 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:  2.719E+003 atm-m3/mole  (2.755E+008 Pa-m3/mole)
      VP:   0.0669 mm Hg (source: MPBPVP)
      WS:   1.52E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.20  (KowWin est)
  Log Kaw used:  -4.931  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.131
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3713
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4746  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.6627  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.2819
   Biowin6 (MITI Non-Linear Model):   0.9920
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5137
 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):  8.44 Pa (0.0633 mm Hg)
  Log Koa (Koawin est  ): 14.131
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.55E-007 
       Octanol/air (Koa) model:  33.2 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.28E-005 
       Mackay model           :  2.84E-005 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.3456 E-12 cm3/molecule-sec
      Half-Life =     0.352 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.230 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.06E-005 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.297E+006  L/kg (MCI method)
      Log Koc:  6.361       (MCI method)
      Koc    :  7.633E+005  L/kg (Kow method)
      Log Koc:  5.883       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.201E-001  L/mol-sec
  Kb Half-Life at pH 8:      25.063  days   
  Kb Half-Life at pH 7:     250.627  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.448 (BCF = 280.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0671 days (HL = 0.08569 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.000 (BCF = 0.9996)
   Log BAF Arnot-Gobas method (upper trophic) = 0.001 (BAF = 1.001)
       log Kow used: 9.20 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.56E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 4.962E+004  hours   (2068 days)
    Half-Life from Model Lake : 5.415E+005  hours   (2.256E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.03  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       0.424           8.46         1000       
   Water     18.8            208          1000       
   Soil      71.3            416          1000       
   Sediment  9.46            1.87e+003    0          
     Persistence Time: 412 hr