CAS Number: 30462-34-1
SMILES : O=C1C(O)=C5C(=CC(=C1)C4Oc2cc(O)cc(O)c2CC4OC(=O)c3cc(O)c(O)c(O)c3)C(=C
         C(O)=C5O)C7Oc6cc(O)cc(O)c6CC7O
CHEM   : 
MOL FOR: C36 H28 O16 
MOL WT : 716.61
------------------------------ EPI SUMMARY (v4.10) --------------------------
    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) =  1.93
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1107.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.01E-036  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.35E-034  (Modified Grain method)
    Subcooled liquid VP: 5.2E-033 mm Hg (25 deg C, Mod-Grain method)
                       : 6.93E-031 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  7.527
       log Kow used: 1.93 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.9478e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Vinyl/Allyl Ketones
       Vinyl/Allyl Ethers
       Vinyl/Allyl Alcohols
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.22E-044  atm-m3/mole  (3.27E-039 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:  1.253E-031 atm-m3/mole  (1.269E-026 Pa-m3/mole)
      VP:   1E-030 mm Hg (source: MPBPVP)
      WS:   7.53 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.93  (KowWin est)
  Log Kaw used:  -41.880  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  43.810
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   2.4061
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5019  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.8334  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5325
   Biowin6 (MITI Non-Linear Model):   0.0085
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1893
 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):  6.93E-031 Pa (5.2E-033 mm Hg)
  Log Koa (Koawin est  ): 43.810
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.33E+024 
       Octanol/air (Koa) model:  1.58E+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 = 523.9428 E-12 cm3/molecule-sec
      Half-Life =     0.020 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.698 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.212500 E-17 cm3/molecule-sec
      Half-Life =     0.159 Days (at 7E11 mol/cm3)
      Half-Life =      3.813 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    :  2.134E+006  L/kg (MCI method)
      Log Koc:  6.329       (MCI method)
      Koc    :  379.8  L/kg (Kow method)
      Log Koc:  2.580       (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 = 0.940 (BCF = 8.71 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -5.4286 days (HL = 3.727e-006 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.318 (BCF = 2.078)
   Log BAF Arnot-Gobas method (upper trophic) = 0.318 (BAF = 2.078)
       log Kow used: 1.93 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.22E-044 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.867E+040  hours   (2.028E+039 days)
    Half-Life from Model Lake :  5.31E+041  hours   (2.212E+040 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.19  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.09  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       6.06e-011       0.434        1000       
   Water     1.86            900          1000       
   Soil      41.6            1.8e+003     1000       
   Sediment  56.6            8.1e+003     0          
     Persistence Time: 3.96e+003 hr