CAS Number: 88524-66-7
SMILES : CC1=CC(C(C(C1)c2c(cc(cc2)O)O)C(=O)c3c(cc(cc3)O)O)c4c(ccc(c4O)C5=C(C(=
         O)c6c(cc(cc6O5)O)O)CC=C(C)C)O
CHEM   : 
MOL FOR: C40 H36 O11 
MOL WT : 692.73
------------------------------ 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) =  9.12
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  978.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.23E-028  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.64E-026  (Modified Grain method)
    Subcooled liquid VP: 6.29E-025 mm Hg (25 deg C, Mod-Grain method)
                       : 8.38E-023 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.405e-006
       log Kow used: 9.12 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.9273e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Ketones
       Vinyl/Allyl Ethers
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.18E-037  atm-m3/mole  (1.20E-032 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:  4.662E-023 atm-m3/mole  (4.723E-018 Pa-m3/mole)
      VP:   1.23E-028 mm Hg (source: MPBPVP)
      WS:   2.4E-006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.12  (KowWin est)
  Log Kaw used:  -35.317  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  44.437
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.5991
   Biowin2 (Non-Linear Model)     :   0.9497
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8666  (months      )
   Biowin4 (Primary Survey Model) :   3.0614  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2463
   Biowin6 (MITI Non-Linear Model):   0.0003
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6813
 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):  8.39E-023 Pa (6.29E-025 mm Hg)
  Log Koa (Koawin est  ): 44.437
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.58E+016 
       Octanol/air (Koa) model:  6.71E+031 
   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 = 434.9843 E-12 cm3/molecule-sec
      Half-Life =     0.025 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.704 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   154.250000 E-17 cm3/molecule-sec
      Half-Life =     0.007 Days (at 7E11 mol/cm3)
      Half-Life =     10.698 Min
   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    :  3.028E+009  L/kg (MCI method)
      Log Koc:  9.481       (MCI method)
      Koc    :  5.643E+007  L/kg (Kow method)
      Log Koc:  7.752       (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 = 2.498 (BCF = 314.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.7738 days (HL = 0.001683 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.030 (BCF = 0.9343)
   Log BAF Arnot-Gobas method (upper trophic) = -0.029 (BAF = 0.9344)
       log Kow used: 9.12 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.18E-037 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.306E+034  hours   (5.441E+032 days)
    Half-Life from Model Lake : 1.425E+035  hours   (5.936E+033 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.03  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       1.14e-012       0.137        1000       
   Water     1.09            1.44e+003    1000       
   Soil      41.7            2.88e+003    1000       
   Sediment  57.2            1.3e+004     0          
     Persistence Time: 6.31e+003 hr