CAS Number: 20196-92-3
SMILES : c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC(=O)C=Cc5cc
         (c(cc5)O)O
CHEM   : 
MOL FOR: C30 H26 O13 
MOL WT : 594.53
------------------------------ 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) =  1.94
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  863.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.42E-028  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.26E-025  (Modified Grain method)
    Subcooled liquid VP: 4.83E-024 mm Hg (25 deg C, Mod-Grain method)
                       : 6.44E-022 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  14.77
       log Kow used: 1.94 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13451 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 :   3.11E-033  atm-m3/mole  (3.15E-028 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:  4.989E-029 atm-m3/mole  (5.055E-024 Pa-m3/mole)
      VP:   9.42E-028 mm Hg (source: MPBPVP)
      WS:   14.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.94  (KowWin est)
  Log Kaw used:  -30.896  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  32.836
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.5443
   Biowin2 (Non-Linear Model)     :   0.9984
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6872  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.9781  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8382
   Biowin6 (MITI Non-Linear Model):   0.0840
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6318
 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):  6.44E-022 Pa (4.83E-024 mm Hg)
  Log Koa (Koawin est  ): 32.836
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.66E+015 
       Octanol/air (Koa) model:  1.68E+020 
   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 = 312.6108 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 315.2708 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   24.635 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   24.427 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    11.550000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    12.600000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =   142.878 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =   130.971 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    :  5270  L/kg (MCI method)
      Log Koc:  3.722       (MCI method)
      Koc    :  67.15  L/kg (Kow method)
      Log Koc:  1.827       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.940E-001  L/mol-sec
  Kb Half-Life at pH 8:      41.341  days   
  Kb Half-Life at pH 7:       1.132  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.103 (BCF = 1.268 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.2384 days (HL = 0.0005775 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.320 (BCF = 2.088)
   Log BAF Arnot-Gobas method (upper trophic) = 0.320 (BAF = 2.088)
       log Kow used: 1.94 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.11E-033 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  4.59E+029  hours   (1.913E+028 days)
    Half-Life from Model Lake : 5.008E+030  hours   (2.086E+029 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.19  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.10  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       1.3e-008        0.611        1000       
   Water     10.8            900          1000       
   Soil      85.9            1.8e+003     1000       
   Sediment  3.29            8.1e+003     0          
     Persistence Time: 1.9e+003 hr