CAS Number: 1182-34-9
SMILES : C1(O)C(OC(=O)C=Cc3cc(O)c(O)cc3)C(O)C(C(=O)O)(OC(=O)C=Cc2cc(O)c(O)cc2)
         CC1
CHEM   : 
MOL FOR: C25 H24 O12 
MOL WT : 516.46
------------------------------ 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) =  0.70
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  742.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  326.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.45E-022  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.26E-020  (Modified Grain method)
    Subcooled liquid VP: 6.17E-019 mm Hg (25 deg C, Mod-Grain method)
                       : 8.22E-017 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1329
       log Kow used: 0.70 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  38267 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters-acid
       Phenols, Poly -acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.49E-036  atm-m3/mole  (3.54E-031 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-025 atm-m3/mole  (1.269E-020 Pa-m3/mole)
      VP:   2.45E-022 mm Hg (source: MPBPVP)
      WS:   1.33E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.70  (KowWin est)
  Log Kaw used:  -33.846  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  34.546
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.5195
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0362  (weeks       )
   Biowin4 (Primary Survey Model) :   4.2103  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8419
   Biowin6 (MITI Non-Linear Model):   0.2542
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6324
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  8.23E-017 Pa (6.17E-019 mm Hg)
  Log Koa (Koawin est  ): 34.546
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.65E+010 
       Octanol/air (Koa) model:  8.63E+021 
   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 = 112.0483 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 117.3683 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.146 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.094 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     4.200000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    13.097 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     6.549 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   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    :  276.4  L/kg (MCI method)
      Log Koc:  2.441       (MCI method)
      Koc    :  1.804  L/kg (Kow method)
      Log Koc:  0.256       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.651E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.887  years  
  Kb Half-Life at pH 7:      38.865  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -4.7300 days (HL = 1.862e-005 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.006 (BCF = 0.9872)
   Log BAF Arnot-Gobas method (upper trophic) = -0.006 (BAF = 0.9872)
       log Kow used: 0.70 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.49E-036 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.812E+032  hours   (1.589E+031 days)
    Half-Life from Model Lake : 4.159E+033  hours   (1.733E+032 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.87  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       2.4e-016        1.95         1000       
   Water     17.3            360          1000       
   Soil      82.5            720          1000       
   Sediment  0.211           3.24e+003    0          
     Persistence Time: 769 hr