CAS Number: 320616-16-8
SMILES : Cc1c2c(c(c(c1C)OC(=O)C=CC(=O)OC3=C(C(OC3(=O))C(CO)O)O)C)CCC(O2)(C)CCC
         C(C)CCCC(C)CCCC(C)C
CHEM   : 
MOL FOR: C39 H58 O10 
MOL WT : 686.89
------------------------------ EPI SUMMARY (v4.11) --------------------------
    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) =  9.23
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  799.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.83E-025  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.44E-023  (Modified Grain method)
    Subcooled liquid VP: 9.39E-022 mm Hg (25 deg C, Mod-Grain method)
                       : 1.25E-019 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5.675e-007
       log Kow used: 9.23 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.9395e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Alcohols
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.16E-015  atm-m3/mole  (8.26E-010 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:  2.914E-019 atm-m3/mole  (2.953E-014 Pa-m3/mole)
      VP:   1.83E-025 mm Hg (source: MPBPVP)
      WS:   5.67E-007 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.23  (KowWin est)
  Log Kaw used:  -12.477  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.707
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.5859
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0121  (months      )
   Biowin4 (Primary Survey Model) :   3.5815  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8529
   Biowin6 (MITI Non-Linear Model):   0.4311
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6724
 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):  1.25E-019 Pa (9.39E-022 mm Hg)
  Log Koa (Koawin est  ): 21.707
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.4E+013 
       Octanol/air (Koa) model:  1.25E+009 
   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 = 253.6384 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 254.5694 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.506 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.504 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.225000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.312500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    22.452 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    20.955 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   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    :  5.162E+006  L/kg (MCI method)
      Log Koc:  6.713       (MCI method)
      Koc    :  1.356E+005  L/kg (Kow method)
      Log Koc:  5.132       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.290E+000  L/mol-sec
  Kb Half-Life at pH 8:       6.218  days   
  Kb Half-Life at pH 7:      62.183  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.182 (BCF = 151.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.1042 days (HL = 0.007867 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.033 (BCF = 0.9258)
   Log BAF Arnot-Gobas method (upper trophic) = -0.033 (BAF = 0.9258)
       log Kow used: 9.23 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.16E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  1.88E+011  hours   (7.835E+009 days)
    Half-Life from Model Lake : 2.051E+012  hours   (8.548E+010 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       0.0181          0.968        1000       
   Water     7.6             1.44e+003    1000       
   Soil      58.8            2.88e+003    1000       
   Sediment  33.6            1.3e+004     0          
     Persistence Time: 2.44e+003 hr