CAS Number: 75628-10-3
SMILES : CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)C(=C)C)OC(=O)C(=C)C)C(=C)C(=O)O2
CHEM   : 
MOL FOR: C23 H28 O8 
MOL WT : 432.47
------------------------------ 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) =  2.44
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  523.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  200.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.08E-013  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.77E-011  (Modified Grain method)
    Subcooled liquid VP: 3.65E-011 mm Hg (25 deg C, Mod-Grain method)
                       : 4.87E-009 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  50.76
       log Kow used: 2.44 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.8581 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Acrylates
       Methacrylates
       Vinyl/Allyl Ketones
       Ketone alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.18E-014  atm-m3/mole  (5.25E-009 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:  5.695E-015 atm-m3/mole  (5.770E-010 Pa-m3/mole)
      VP:   5.08E-013 mm Hg (source: MPBPVP)
      WS:   50.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.44  (KowWin est)
  Log Kaw used:  -11.674  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.114
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8871
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4295  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7350  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7752
   Biowin6 (MITI Non-Linear Model):   0.1834
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2037
 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):  4.87E-009 Pa (3.65E-011 mm Hg)
  Log Koa (Koawin est  ): 14.114
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  616 
       Octanol/air (Koa) model:  31.9 
   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 = 134.1087 E-12 cm3/molecule-sec
      Half-Life =     0.080 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.957 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     4.550000 E-17 cm3/molecule-sec
      Half-Life =     0.252 Days (at 7E11 mol/cm3)
      Half-Life =      6.045 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    :  991.2  L/kg (MCI method)
      Log Koc:  2.996       (MCI method)
      Koc    :  84.66  L/kg (Kow method)
      Log Koc:  1.928       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.492E-004  L/mol-sec
  Kb Half-Life at pH 8:     147.184  years  
  Kb Half-Life at pH 7:    1471.844  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.280 (BCF = 19.06 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.0766 days (HL = 0.008384 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.550 (BCF = 3.545)
   Log BAF Arnot-Gobas method (upper trophic) = 0.550 (BAF = 3.545)
       log Kow used: 2.44 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.18E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.351E+010  hours   (9.794E+008 days)
    Half-Life from Model Lake : 2.564E+011  hours   (1.068E+010 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.94  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.84  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       0.0103          1.45         1000       
   Water     12.8            900          1000       
   Soil      86.4            1.8e+003     1000       
   Sediment  0.707           8.1e+003     0          
     Persistence Time: 1.64e+003 hr