CAS Number: 12738-64-6
SMILES : c0ccc(cc0)C(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COC(=O)c4ccccc4)OC(=O)c5cc
         ccc5)OC(=O)c6ccccc6)COC(=O)c7ccccc7)OC(=O)c8ccccc8)OC(=O)c9ccccc9)OC(
         =O)c1ccccc1
CHEM   : 
MOL FOR: C68 H54 O19 
MOL WT : 1175.18
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
 Physical Property Inputs:
------------------------------ EPI SUMMARY (v3.20) --------------------------
    Water Solubility (mg/L):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  11.22
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1221.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.28E-032  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.71E-030  (Modified Grain method)
    Subcooled liquid VP: 3.73E-028 mm Hg (25 deg C, Mod-Grain method)
                       : 4.97E-026 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.374e-012
       log Kow used: 11.22 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.1752e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.40E-034  atm-m3/mole  (3.45E-029 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:  2.877E-019 atm-m3/mole  (2.916E-014 Pa-m3/mole)
      VP:   1E-030 mm Hg (source: MPBPVP)
      WS:   5.37E-012 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.22  (KowWin est)
  Log Kaw used:  -31.857  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  43.077
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3802
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6618  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.8404  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6144
   Biowin6 (MITI Non-Linear Model):   0.0012
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5733
 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):  4.97E-026 Pa (3.73E-028 mm Hg)
  Log Koa (Koawin est  ): 43.077
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.03E+019 
       Octanol/air (Koa) model:  2.93E+030 
   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 =  83.4261 E-12 cm3/molecule-sec
      Half-Life =     0.128 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.539 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   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    :  1E+010  L/kg (MCI method)
      Log Koc:  17.506      (MCI method)
      Koc    :  5.349E+006  L/kg (Kow method)
      Log Koc:  6.728       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.914E-001  L/mol-sec
  Kb Half-Life at pH 8:      27.532  days   
  Kb Half-Life at pH 7:     275.322  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.057 (BCF = 114 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -4.9508 days (HL = 1.12e-005 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8933)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8933)
       log Kow used: 11.22 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.4E-034 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.903E+030  hours   (2.46E+029 days)
    Half-Life from Model Lake :  6.44E+031  hours   (2.683E+030 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  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       2.46e-006       3.08         1000       
   Water     0.789           4.32e+003    1000       
   Soil      55.3            8.64e+003    1000       
   Sediment  43.9            3.89e+004    0          
     Persistence Time: 1.43e+004 hr