CAS Number: 35897-92-8
SMILES : CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCc3ccc(cc3)O
CHEM   : 
MOL FOR: C25 H32 O12 
MOL WT : 524.53
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  0.40
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  677.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  295.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.92E-020  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.56E-018  (Modified Grain method)
    Subcooled liquid VP: 1.96E-017 mm Hg (25 deg C, Mod-Grain method)
                       : 2.62E-015 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  856
       log Kow used: 0.40 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Phenols
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.08E-025  atm-m3/mole  (1.09E-020 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:  1.548E-023 atm-m3/mole  (1.569E-018 Pa-m3/mole)
      VP:   1.92E-020 mm Hg (source: MPBPVP)
      WS:   856 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.40  (KowWin est)
  Log Kaw used:  -23.355  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  23.755
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6095
   Biowin2 (Non-Linear Model)     :   0.3516
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9159  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0086  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7781
   Biowin6 (MITI Non-Linear Model):   0.0626
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5642
 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):  2.61E-015 Pa (1.96E-017 mm Hg)
  Log Koa (Koawin est  ): 23.755
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.15E+009 
       Octanol/air (Koa) model:  1.4E+011 
   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 = 242.4017 E-12 cm3/molecule-sec
      Half-Life =     0.044 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.530 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    48.687500 E-17 cm3/molecule-sec
      Half-Life =     0.024 Days (at 7E11 mol/cm3)
      Half-Life =     33.894 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    :  76.15  L/kg (MCI method)
      Log Koc:  1.882       (MCI method)
      Koc    :  1.223  L/kg (Kow method)
      Log Koc:  0.087       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.285E-002  L/mol-sec
  Kb Half-Life at pH 8:     351.118  days   
  Kb Half-Life at pH 7:       9.613  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) = -3.7165 days (HL = 0.0001921 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.026 (BCF = 0.9412)
   Log BAF Arnot-Gobas method (upper trophic) = -0.026 (BAF = 0.9412)
       log Kow used: 0.40 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.08E-025 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.242E+022  hours   (5.173E+020 days)
    Half-Life from Model Lake : 1.354E+023  hours   (5.644E+021 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       1.99e-007       0.368        1000       
   Water     20.2            360          1000       
   Soil      79.7            720          1000       
   Sediment  0.0996          3.24e+003    0          
     Persistence Time: 736 hr