CAS Number: 105581-34-8
SMILES : C0C(C(Oc2c0c(cc(c2C3C4C(OC(=O)c5cc(c(c6c5C7C(=C3C(=O)C(C7(O6)O)(O)O)C
         (=O)O4)O)O)C8C(COC(=O)c9cc(c(c(c9c%10c(c(c(cc%10C(=O)O8)O)O)O)O)O)O)O
         C(=O)c%11cc(c(c(c%11)O)O)O)O)O)c1cc(c(cc1)O)O)O
CHEM   : 
MOL FOR: C56 H40 O32 
MOL WT : 1224.92
    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) =  3.37
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1875.62  (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):  3.612e-006
       log Kow used: 3.37 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.2249e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Ketones
       Ketone 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)         :   2.9980
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.4115  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.5696  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6256
   Biowin6 (MITI Non-Linear Model):   0.0013
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.3016
 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 = 264.6641 E-12 cm3/molecule-sec
      Half-Life =     0.040 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    29.098 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.089 (Junge-Pankow, Mackay avg)
      0.00303 (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:  13.001      (MCI method)
      Koc    :  4.418E+004  L/kg (Kow method)
      Log Koc:  4.645       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.589E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.383  years  
  Kb Half-Life at pH 7:      13.826  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.891 (BCF = 77.85 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -15.1563 days (HL = 6.978e-016 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.810 (BCF = 6.455)
   Log BAF Arnot-Gobas method (upper trophic) = 0.810 (BAF = 6.455)
       log Kow used: 3.37 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.46E-010 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 4.592E+006  hours   (1.913E+005 days)
    Half-Life from Model Lake :  5.01E+007  hours   (2.087E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:              10.40  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    10.23  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       0.00326         0.769        1000       
   Water     0.695           4.32e+003    1000       
   Soil      39.2            8.64e+003    1000       
   Sediment  60.1            3.89e+004    0          
     Persistence Time: 1.09e+004 hr