CAS Number: 122575-51-3
SMILES : CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OCC2
         CC(C(C(C2O)O)O)c3c(cc4c(c3O)C(=O)c5cc(c(cc5O4)O)O)O
CHEM   : 
MOL FOR: C46 H52 O18 
MOL WT : 892.92
------------------------------ 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) =  4.99
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1184.01  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.34E-039  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.79E-037  (Modified Grain method)
    Subcooled liquid VP: 6.89E-036 mm Hg (25 deg C, Mod-Grain method)
                       : 9.19E-034 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.859e-005
       log Kow used: 4.99 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  860.53 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Methacrylates
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.15E-040  atm-m3/mole  (6.23E-035 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:  4.109E-026 atm-m3/mole  (4.164E-021 Pa-m3/mole)
      VP:   1E-030 mm Hg (source: MPBPVP)
      WS:   2.86E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.99  (KowWin est)
  Log Kaw used:  -37.600  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  42.590
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   2.0912
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6876  (weeks-months)
   Biowin4 (Primary Survey Model) :   4.0589  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7515
   Biowin6 (MITI Non-Linear Model):   0.0016
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8267
 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):  9.19E-034 Pa (6.89E-036 mm Hg)
  Log Koa (Koawin est  ): 42.590
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.27E+027 
       Octanol/air (Koa) model:  9.55E+029 
   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 = 675.6574 E-12 cm3/molecule-sec
      Half-Life =     0.016 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.398 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    16.932501 E-17 cm3/molecule-sec
      Half-Life =     0.068 Days (at 7E11 mol/cm3)
      Half-Life =      1.624 Hrs
   Reaction With Nitrate Radicals May Be Important!
   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    :  5.621E+008  L/kg (MCI method)
      Log Koc:  8.750       (MCI method)
      Koc    :  3188  L/kg (Kow method)
      Log Koc:  3.504       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.142E-003  L/mol-sec
  Kb Half-Life at pH 8:      19.239  years  
  Kb Half-Life at pH 7:     192.388  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.118 (BCF = 131.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -4.8238 days (HL = 1.501e-005 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.096 (BCF = 12.49)
   Log BAF Arnot-Gobas method (upper trophic) = 1.096 (BAF = 12.49)
       log Kow used: 4.99 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.15E-040 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.845E+036  hours   (1.185E+035 days)
    Half-Life from Model Lake : 3.103E+037  hours   (1.293E+036 days)
 
 Removal In Wastewater Treatment:
    Total removal:              77.38  percent
    Total biodegradation:        0.68  percent
    Total sludge adsorption:    76.71  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       0.000705        0.308        1000       
   Water     1.53            900          1000       
   Soil      37.8            1.8e+003     1000       
   Sediment  60.7            8.1e+003     0          
     Persistence Time: 3.96e+003 hr