CAS Number: 148019-46-9
SMILES : CC(=C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)c1cc(c(cc1C(=O)O)C(=O)OC(COC(=O)C(
         =C)C)COC(=O)C(=C)C)C(=O)O
CHEM   : 
MOL FOR: C32 H34 O16 
MOL WT : 674.62
------------------------------ 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) =  4.33
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  740.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  324.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.78E-018  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.7E-016  (Modified Grain method)
    Subcooled liquid VP: 1.4E-014 mm Hg (25 deg C, Mod-Grain method)
                       : 1.87E-012 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0104
       log Kow used: 4.33 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.049793 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters-acid
       Methacrylates-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.22E-027  atm-m3/mole  (4.27E-022 Pa-m3/mole)
   Group Method:   3.38E-029  atm-m3/mole  (3.42E-024 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:  4.933E-016 atm-m3/mole  (4.999E-011 Pa-m3/mole)
      VP:   5.78E-018 mm Hg (source: MPBPVP)
      WS:   0.0104 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.33  (KowWin est)
  Log Kaw used:  -24.763  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  29.093
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.8252
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7254  (weeks-months)
   Biowin4 (Primary Survey Model) :   4.2637  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.6854
   Biowin6 (MITI Non-Linear Model):   0.9908
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0733
 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):  1.87E-012 Pa (1.4E-014 mm Hg)
  Log Koa (Koawin est  ): 29.093
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.61E+006 
       Octanol/air (Koa) model:  3.04E+016 
   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 =  90.3642 E-12 cm3/molecule-sec
      Half-Life =     0.118 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.420 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     4.550000 E-17 cm3/molecule-sec
      Half-Life =     0.252 Days (at 7E11 mol/cm3)
      Half-Life =      6.045 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    :  9.636E+007  L/kg (MCI method)
      Log Koc:  7.984       (MCI method)
      Koc    :  262.8  L/kg (Kow method)
      Log Koc:  2.420       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.073E+000  L/mol-sec
  Kb Half-Life at pH 8:       7.479  days   
  Kb Half-Life at pH 7:      74.788  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -4.9092 days (HL = 1.233e-005 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.100 (BCF = 12.59)
   Log BAF Arnot-Gobas method (upper trophic) = 1.100 (BAF = 12.59)
       log Kow used: 4.33 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.38E-029 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 4.499E+025  hours   (1.875E+024 days)
    Half-Life from Model Lake : 4.908E+026  hours   (2.045E+025 days)
 
 Removal In Wastewater Treatment:
    Total removal:              46.89  percent
    Total biodegradation:        0.45  percent
    Total sludge adsorption:    46.44  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       1.88e-014       1.93         1000       
   Water     1.49            900          1000       
   Soil      39.7            1.8e+003     1000       
   Sediment  58.9            8.1e+003     0          
     Persistence Time: 4.15e+003 hr