CAS Number: 63529-14-6
SMILES : CC=C(C)C(=O)OC1CC(=CCC(=O)C(=CC2C1C(=C)C(=O)O2)C)C
CHEM   : 
MOL FOR: C20 H24 O5 
MOL WT : 344.41
------------------------------ 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) =  3.12
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  468.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  183.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.71E-009  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.95E-007  (Modified Grain method)
    Subcooled liquid VP: 1.67E-007 mm Hg (25 deg C, Mod-Grain method)
                       : 2.22E-005 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  14.57
       log Kow used: 3.12 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.053 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Acrylates
       Methacrylates
       Vinyl/Allyl Ketones
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.24E-010  atm-m3/mole  (3.28E-005 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:  1.154E-010 atm-m3/mole  (1.169E-005 Pa-m3/mole)
      VP:   3.71E-009 mm Hg (source: MPBPVP)
      WS:   14.6 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.12  (KowWin est)
  Log Kaw used:  -7.878  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.998
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9388
   Biowin2 (Non-Linear Model)     :   0.9971
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6960  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7865  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6021
   Biowin6 (MITI Non-Linear Model):   0.2000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0197
 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):  2.23E-005 Pa (1.67E-007 mm Hg)
  Log Koa (Koawin est  ): 10.998
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.135 
       Octanol/air (Koa) model:  0.0244 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.83 
       Mackay model           :  0.915 
       Octanol/air (Koa) model:  0.662 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 224.9262 E-12 cm3/molecule-sec
      Half-Life =     0.048 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.571 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    58.924999 E-17 cm3/molecule-sec
      Half-Life =     0.019 Days (at 7E11 mol/cm3)
      Half-Life =     28.006 Min
   Fraction sorbed to airborne particulates (phi):
      0.872 (Junge-Pankow, Mackay avg)
      0.662 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  992.1  L/kg (MCI method)
      Log Koc:  2.997       (MCI method)
      Koc    :  519.1  L/kg (Kow method)
      Log Koc:  2.715       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.537E-005  L/mol-sec
  Kb Half-Life at pH 8:     484.052  years  
  Kb Half-Life at pH 7:    4840.518  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.724 (BCF = 52.95 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8106 days (HL = 0.1547 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.639 (BCF = 43.57)
   Log BAF Arnot-Gobas method (upper trophic) = 1.639 (BAF = 43.57)
       log Kow used: 3.12 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.24E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.354E+006  hours   (1.397E+005 days)
    Half-Life from Model Lake : 3.658E+007  hours   (1.524E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:               6.85  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.72  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       0.00819         0.331        1000       
   Water     15.4            900          1000       
   Soil      83.8            1.8e+003     1000       
   Sediment  0.847           8.1e+003     0          
     Persistence Time: 1.3e+003 hr