CAS Number: 133352-34-8
SMILES : CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCCCC2=C(COC2(=O))C)O)O)O
CHEM   : 
MOL FOR: C35 H64 O6 
MOL WT : 580.90
------------------------------ 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) =  9.09
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  697.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  305.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.71E-021  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.61E-019  (Modified Grain method)
    Subcooled liquid VP: 3.68E-018 mm Hg (25 deg C, Mod-Grain method)
                       : 4.91E-016 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3.693e-006
       log Kow used: 9.09 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.0162e-005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.05E-011  atm-m3/mole  (1.06E-006 Pa-m3/mole)
   Group Method:   5.73E-018  atm-m3/mole  (5.81E-013 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:  5.609E-016 atm-m3/mole  (5.683E-011 Pa-m3/mole)
      VP:   2.71E-021 mm Hg (source: MPBPVP)
      WS:   3.69E-006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.09  (KowWin est)
  Log Kaw used:  -9.367  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  18.457
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8824
   Biowin2 (Non-Linear Model)     :   0.6473
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8253  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8863  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8326
   Biowin6 (MITI Non-Linear Model):   0.6784
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4652
 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):  4.91E-016 Pa (3.68E-018 mm Hg)
  Log Koa (Koawin est  ): 18.457
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.11E+009 
       Octanol/air (Koa) model:  7.03E+005 
   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 = 126.2815 E-12 cm3/molecule-sec
      Half-Life =     0.085 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.016 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    48.059372 E-17 cm3/molecule-sec
      Half-Life =     0.024 Days (at 7E11 mol/cm3)
      Half-Life =     34.337 Min
   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    :  1.509E+006  L/kg (MCI method)
      Log Koc:  6.179       (MCI method)
      Koc    :  9.418E+004  L/kg (Kow method)
      Log Koc:  4.974       (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 = 2.503 (BCF = 318.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4043 days (HL = 0.3942 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.184 (BCF = 1.526)
   Log BAF Arnot-Gobas method (upper trophic) = 0.239 (BAF = 1.736)
       log Kow used: 9.09 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.05E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.344E+008  hours   (5.6E+006 days)
    Half-Life from Model Lake : 1.466E+009  hours   (6.109E+007 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       0.0391          0.447        1000       
   Water     20.2            360          1000       
   Soil      65.8            720          1000       
   Sediment  13.9            3.24e+003    0          
     Persistence Time: 535 hr