CAS Number: 128530-03-0
SMILES : CC(=CCCC(=CCOC(=O)C=CC(=O)O)C)CCC=C(C)CCC=C(C)COC(=O)C=CC(=O)O
CHEM   : 
MOL FOR: C28 H38 O8 
MOL WT : 502.61
------------------------------ 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) =  9.13
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  613.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  259.88  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.97E-014  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.2E-011  (Modified Grain method)
    Subcooled liquid VP: 3.32E-011 mm Hg (25 deg C, Mod-Grain method)
                       : 4.42E-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):  2.727e-005
       log Kow used: 9.13 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.011878 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters-acid
       Vinyl/Allyl Esters-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.43E-016  atm-m3/mole  (6.52E-011 Pa-m3/mole)
   Group Method:   7.39E-020  atm-m3/mole  (7.48E-015 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:  2.175E-009 atm-m3/mole  (2.204E-004 Pa-m3/mole)
      VP:   8.97E-014 mm Hg (source: MPBPVP)
      WS:   2.73E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.13  (KowWin est)
  Log Kaw used:  -13.580  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  22.710
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0020
   Biowin2 (Non-Linear Model)     :   0.9951
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0981  (weeks       )
   Biowin4 (Primary Survey Model) :   4.3517  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7132
   Biowin6 (MITI Non-Linear Model):   0.2534
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8548
 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):  4.43E-009 Pa (3.32E-011 mm Hg)
  Log Koa (Koawin est  ): 22.710
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  678 
       Octanol/air (Koa) model:  1.26E+010 
   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 = 372.8837 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 374.7457 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   20.653 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   20.550 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   172.174988 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =   172.350006 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     9.585 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     9.575 Min (at 7E11 mol/cm3) [Trans-isomer]
   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    :  1.727E+005  L/kg (MCI method)
      Log Koc:  5.237       (MCI method)
      Koc    :  1.187E+005  L/kg (Kow method)
      Log Koc:  5.075       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.223E+000  L/mol-sec
  Kb Half-Life at pH 8:       6.561  days   
  Kb Half-Life at pH 7:      65.607  days   
    (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) = 1.1846 days (HL = 15.3 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.352 (BCF = 22.48)
   Log BAF Arnot-Gobas method (upper trophic) = 3.800 (BAF = 6306)
       log Kow used: 9.13 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.39E-020 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.776E+016  hours   (7.401E+014 days)
    Half-Life from Model Lake : 1.938E+017  hours   (8.074E+015 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       6.07e-008       0.13         1000       
   Water     15.7            360          1000       
   Soil      83.1            720          1000       
   Sediment  1.17            3.24e+003    0          
     Persistence Time: 792 hr