CAS Number: 121869-32-7
SMILES : CCCCCC=CCC=CCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O
CHEM   : 
MOL FOR: C24 H38 O7 
MOL WT : 438.57
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  6.55
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  623.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  270.23  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.79E-018  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.73E-016  (Modified Grain method)
    Subcooled liquid VP: 1.39E-015 mm Hg (25 deg C, Mod-Grain method)
                       : 1.85E-013 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.01442
       log Kow used: 6.55 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.012497 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
       Esters
       Vinyl/Allyl Alcohols
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.91E-007  atm-m3/mole  (1.93E-002 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:  1.117E-016 atm-m3/mole  (1.131E-011 Pa-m3/mole)
      VP:   2.79E-018 mm Hg (source: MPBPVP)
      WS:   0.0144 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.55  (KowWin est)
  Log Kaw used:  -5.107  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.657
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.4717
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2887  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3303  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.2076
   Biowin6 (MITI Non-Linear Model):   0.9629
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0982
 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):  1.85E-013 Pa (1.39E-015 mm Hg)
  Log Koa (Koawin est  ): 11.657
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.62E+007 
       Octanol/air (Koa) model:  0.111 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.899 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 181.0694 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 196.2694 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.709 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.654 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    27.137501 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    41.137501 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.014 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     0.669 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      0.899 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1490  L/kg (MCI method)
      Log Koc:  3.173       (MCI method)
      Koc    :  3927  L/kg (Kow method)
      Log Koc:  3.594       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.553E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.414  years  
  Kb Half-Life at pH 7:      14.145  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.616 (BCF = 413.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5430 days (HL = 0.02864 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.893 (BCF = 7.824)
   Log BAF Arnot-Gobas method (upper trophic) = 0.893 (BAF = 7.825)
       log Kow used: 6.55 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.91E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       6422  hours   (267.6 days)
    Half-Life from Model Lake : 7.023E+004  hours   (2926 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.50  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.72  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       0.0971          0.591        1000       
   Water     27.3            208          1000       
   Soil      71.9            416          1000       
   Sediment  0.783           1.87e+003    0          
     Persistence Time: 283 hr