CAS Number: 148132-92-7
SMILES : C1C(C(Oc2c1c(cc(c2C(C3C(OC(=O)c4cc(c(c(c4c5c(c(c(cc5C(=O)O3)O)O)O)O)O
         )O)C6C(COC(=O)c7cc(c(c(c7c8c(c(c(cc8C(=O)O6)O)O)O)O)O)O)O)O)O)O)c9cc(
         c(cc9)O)O)O
CHEM   : 
MOL FOR: C49 H38 O28 
MOL WT : 1074.83
    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 v1.68 estimate) =  1.19
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1750.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0  (Modified Grain method)
    VP (Pa, 25 deg C) :  0  (Modified Grain method)
    Subcooled liquid VP: 0 mm Hg (25 deg C, Mod-Grain method)
                       : 0 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.002835
       log Kow used: 1.19 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.0748e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Benzyl Alcohols
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   Incomplete
   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]:
 not available
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   3.4483
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6338  (weeks-months)
   Biowin4 (Primary Survey Model) :   4.2448  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6682
   Biowin6 (MITI Non-Linear Model):   0.0036
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  2.6495
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
    Insufficient Data Available. 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 247.4831 E-12 cm3/molecule-sec
      Half-Life =     0.043 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.519 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1 (Koa method)
      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:  12.030      (MCI method)
      Koc    :  2263  L/kg (Kow method)
      Log Koc:  3.355       (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 = 0.199 (BCF = 1.583 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -14.9542 days (HL = 1.111e-015 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.085 (BCF = 1.217)
   Log BAF Arnot-Gobas method (upper trophic) = 0.085 (BAF = 1.217)
       log Kow used: 1.19 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.99E-013 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 3.848E+009  hours   (1.603E+008 days)
    Half-Life from Model Lake : 4.198E+010  hours   (1.749E+009 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.91  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.82  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       0.0145          1.04         1000       
   Water     1.75            900          1000       
   Soil      28.4            1.8e+003     1000       
   Sediment  69.9            8.1e+003     0          
     Persistence Time: 3.2e+003 hr