CAS Number: 73485-93-5
SMILES : CC(C)(C1Cc2c(O1)c(c3c(c2)C=CC(=O)O3)O)OC4C(C(C(C(O4)COC(=O)C=Cc5ccc(c
         c5)O)O)O)O
CHEM   : 
MOL FOR: C29 H30 O12 
MOL WT : 570.55
------------------------------ 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) =  2.74
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  786.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  346.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.87E-025  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.83E-023  (Modified Grain method)
    Subcooled liquid VP: 2.73E-021 mm Hg (25 deg C, Mod-Grain method)
                       : 3.64E-019 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.31
       log Kow used: 2.74 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  25689 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.65E-030  atm-m3/mole  (1.67E-025 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:  1.022E-025 atm-m3/mole  (1.036E-020 Pa-m3/mole)
      VP:   5.87E-025 mm Hg (source: MPBPVP)
      WS:   4.31 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.74  (KowWin est)
  Log Kaw used:  -28.171  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  30.911
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8400
   Biowin2 (Non-Linear Model)     :   0.9227
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4490  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7859  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7149
   Biowin6 (MITI Non-Linear Model):   0.0364
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2793
 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):  3.64E-019 Pa (2.73E-021 mm Hg)
  Log Koa (Koawin est  ): 30.911
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.24E+012 
       Octanol/air (Koa) model:  2E+018 
   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 = 206.1057 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 208.7657 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.623 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.615 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     3.150000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     4.200000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     8.731 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    :  758.7  L/kg (MCI method)
      Log Koc:  2.880       (MCI method)
      Koc    :  49.55  L/kg (Kow method)
      Log Koc:  1.695       (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 = 1.478 (BCF = 30.07 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.4211 days (HL = 0.0003792 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.609 (BCF = 4.066)
   Log BAF Arnot-Gobas method (upper trophic) = 0.609 (BAF = 4.066)
       log Kow used: 2.74 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.65E-030 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.476E+026  hours   (3.532E+025 days)
    Half-Life from Model Lake : 9.246E+027  hours   (3.853E+026 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.00  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.89  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       1.25e-008       1.09         1000       
   Water     12              900          1000       
   Soil      87.5            1.8e+003     1000       
   Sediment  0.505           8.1e+003     0          
     Persistence Time: 1.82e+003 hr