CAS Number: 68130-24-5
SMILES : OCC(COCOCC(COC(=O)CCCCCCC)CO)COC(=O)CCCC
CHEM   : Decanoic acid, ester with 2,2'-[oxybis(methylene)]bis[2-(hydroxymethy
         l)-1,3-propanediol] octanoate pentanoate
MOL FOR: C22 H42 O8 
MOL WT : 434.58
------------------------------ EPI SUMMARY (v4.10) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  3.58
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  490.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  163.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.56E-012  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.08E-010  (Modified Grain method)
    Subcooled liquid VP: 1.23E-010 mm Hg (25 deg C, Mod-Grain method)
                       : 1.63E-008 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.625
       log Kow used: 3.58 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  56.622 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.69E-014  atm-m3/mole  (2.72E-009 Pa-m3/mole)
   Group Method:   8.68E-019  atm-m3/mole  (8.79E-014 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:  1.605E-012 atm-m3/mole  (1.626E-007 Pa-m3/mole)
      VP:   4.56E-012 mm Hg (source: MPBPVP)
      WS:   1.63 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.58  (KowWin est)
  Log Kaw used:  -11.959  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.539
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7286
   Biowin2 (Non-Linear Model)     :   0.9831
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4185  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.4562  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1221
   Biowin6 (MITI Non-Linear Model):   0.9670
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2204
 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):  1.64E-008 Pa (1.23E-010 mm Hg)
  Log Koa (Koawin est  ): 15.539
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  183 
       Octanol/air (Koa) model:  849 
   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 =  60.3869 E-12 cm3/molecule-sec
      Half-Life =     0.177 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.125 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   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    :  16.59  L/kg (MCI method)
      Log Koc:  1.220       (MCI method)
      Koc    :  58.89  L/kg (Kow method)
      Log Koc:  1.770       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.832E-002  L/mol-sec
  Kb Half-Life at pH 8:     117.423  days   
  Kb Half-Life at pH 7:       3.215  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.031 (BCF = 107.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.6780 days (HL = 0.002099 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.819 (BCF = 6.589)
   Log BAF Arnot-Gobas method (upper trophic) = 0.819 (BAF = 6.589)
       log Kow used: 3.58 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.69E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.537E+010  hours   (1.891E+009 days)
    Half-Life from Model Lake :  4.95E+011  hours   (2.062E+010 days)
 
 Removal In Wastewater Treatment:
    Total removal:              14.98  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    14.78  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       0.00713         4.25         1000       
   Water     26.2            208          1000       
   Soil      73.8            416          1000       
   Sediment  0.0614          1.87e+003    0          
     Persistence Time: 421 hr