CAS Number: 56343-26-1
SMILES : c1cc(ccc1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(Oc4cc(cc(c4C3(=O))O)O)c5cc(c(cc
         5)O)O)O)O)O)O
CHEM   : 
MOL FOR: C30 H26 O14 
MOL WT : 610.53
------------------------------ 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) =  2.33
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  888.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.15E-028  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.54E-026  (Modified Grain method)
    Subcooled liquid VP: 5.91E-025 mm Hg (25 deg C, Mod-Grain method)
                       : 7.88E-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):  5.354
       log Kow used: 2.33 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4127.3 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Ketones
       Vinyl/Allyl Ethers
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.01E-038  atm-m3/mole  (1.03E-033 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:  1.725E-029 atm-m3/mole  (1.748E-024 Pa-m3/mole)
      VP:   1.15E-028 mm Hg (source: MPBPVP)
      WS:   5.35 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.33  (KowWin est)
  Log Kaw used:  -36.384  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  38.714
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1303
   Biowin2 (Non-Linear Model)     :   0.7776
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6541  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.8181  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5580
   Biowin6 (MITI Non-Linear Model):   0.0129
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2988
 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):  7.88E-023 Pa (5.91E-025 mm Hg)
  Log Koa (Koawin est  ): 38.714
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.81E+016 
       Octanol/air (Koa) model:  1.27E+026 
   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 = 330.2030 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 332.8630 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   23.322 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   23.136 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    53.549999 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    54.599998 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    30.817 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    30.224 Min (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    :  3460  L/kg (MCI method)
      Log Koc:  3.539       (MCI method)
      Koc    :  169.8  L/kg (Kow method)
      Log Koc:  2.230       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.468E-002  L/mol-sec
  Kb Half-Life at pH 8:     325.074  days   
  Kb Half-Life at pH 7:       8.900  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.618 (BCF = 4.151 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -4.0953 days (HL = 8.03e-005 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.519 (BCF = 3.3)
   Log BAF Arnot-Gobas method (upper trophic) = 0.519 (BAF = 3.3)
       log Kow used: 2.33 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.01E-038 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.432E+035  hours   (5.968E+033 days)
    Half-Life from Model Lake : 1.563E+036  hours   (6.511E+034 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.69  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.60  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       3.51e-013       0.309        1000       
   Water     11              900          1000       
   Soil      86.8            1.8e+003     1000       
   Sediment  2.19            8.1e+003     0          
     Persistence Time: 1.88e+003 hr