CAS Number: 133352-33-7
SMILES : CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(=O)CCCCCCCC2=CC(OC2(=O))C)O)O
CHEM   : 
MOL FOR: C35 H62 O6 
MOL WT : 578.88
------------------------------ 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) =  8.45
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  685.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  299.28  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.55E-020  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.07E-018  (Modified Grain method)
    Subcooled liquid VP: 5.23E-017 mm Hg (25 deg C, Mod-Grain method)
                       : 6.97E-015 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.343e-005
       log Kow used: 8.45 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.2742e-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 :   9.26E-014  atm-m3/mole  (9.38E-009 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:  2.581E-015 atm-m3/mole  (2.615E-010 Pa-m3/mole)
      VP:   4.55E-020 mm Hg (source: MPBPVP)
      WS:   1.34E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.45  (KowWin est)
  Log Kaw used:  -11.422  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.872
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7315
   Biowin2 (Non-Linear Model)     :   0.2819
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6473  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7375  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8448
   Biowin6 (MITI Non-Linear Model):   0.5978
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1923
 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):  6.97E-015 Pa (5.23E-017 mm Hg)
  Log Koa (Koawin est  ): 19.872
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.3E+008 
       Octanol/air (Koa) model:  1.83E+007 
   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 = 113.8771 E-12 cm3/molecule-sec
      Half-Life =     0.094 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.127 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   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    :  1.099E+005  L/kg (MCI method)
      Log Koc:  5.041       (MCI method)
      Koc    :  6.54E+004  L/kg (Kow method)
      Log Koc:  4.816       (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 = 2.817 (BCF = 656.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5083 days (HL = 0.3103 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.484 (BCF = 3.047)
   Log BAF Arnot-Gobas method (upper trophic) = 0.537 (BAF = 3.447)
       log Kow used: 8.45 (estimated)
 
 Volatilization from Water:
    Henry LC:  9.26E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.521E+010  hours   (6.338E+008 days)
    Half-Life from Model Lake :  1.66E+011  hours   (6.915E+009 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  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       0.0532          1.4          1000       
   Water     15.7            900          1000       
   Soil      77.4            1.8e+003     1000       
   Sediment  6.76            8.1e+003     0          
     Persistence Time: 1.17e+003 hr