CAS Number: 55750-86-2
SMILES : CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OC
CHEM   : 
MOL FOR: C27 H36 O9 
MOL WT : 504.58
------------------------------ 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) =  3.91
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  632.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  250.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.4E-018  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.2E-016  (Modified Grain method)
    Subcooled liquid VP: 6.72E-016 mm Hg (25 deg C, Mod-Grain method)
                       : 8.95E-014 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.3079
       log Kow used: 3.91 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  78125 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Methacrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.22E-017  atm-m3/mole  (1.24E-012 Pa-m3/mole)
   Group Method:   1.25E-029  atm-m3/mole  (1.27E-024 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  5.175E-018 atm-m3/mole  (5.244E-013 Pa-m3/mole)
      VP:   2.4E-018 mm Hg (source: MPBPVP)
      WS:   0.308 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.91  (KowWin est)
  Log Kaw used:  -15.302  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.212
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1432
   Biowin2 (Non-Linear Model)     :   0.9936
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9957  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0857  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7201
   Biowin6 (MITI Non-Linear Model):   0.0442
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5437
 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):  8.96E-014 Pa (6.72E-016 mm Hg)
  Log Koa (Koawin est  ): 19.212
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.35E+007 
       Octanol/air (Koa) model:  4E+006 
   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 = 434.2810 E-12 cm3/molecule-sec
      Half-Life =     0.025 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.733 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    16.932501 E-17 cm3/molecule-sec
      Half-Life =     0.068 Days (at 7E11 mol/cm3)
      Half-Life =      1.624 Hrs
   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    :  2320  L/kg (MCI method)
      Log Koc:  3.365       (MCI method)
      Koc    :  110.4  L/kg (Kow method)
      Log Koc:  2.043       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.115E-003  L/mol-sec
  Kb Half-Life at pH 8:      10.387  years  
  Kb Half-Life at pH 7:     103.866  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.245 (BCF = 175.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1193 days (HL = 0.07598 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.502 (BCF = 31.78)
   Log BAF Arnot-Gobas method (upper trophic) = 1.502 (BAF = 31.78)
       log Kow used: 3.91 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.22E-017 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.078E+014  hours   (4.492E+012 days)
    Half-Life from Model Lake : 1.176E+015  hours   (4.9E+013 days)
 
 Removal In Wastewater Treatment:
    Total removal:              26.13  percent
    Total biodegradation:        0.29  percent
    Total sludge adsorption:    25.84  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       0.0394          0.433        1000       
   Water     23.4            360          1000       
   Soil      74.8            720          1000       
   Sediment  1.76            3.24e+003    0          
     Persistence Time: 490 hr