CAS Number: 18268-70-7
SMILES : O=C(OCCOCCOCCOCCOC(=O)C(CCCC)CC)C(CCCC)CC
CHEM   : Hexanoic acid, 2-ethyl-, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) est
         er
MOL FOR: C24 H46 O7 
MOL WT : 446.63
------------------------------ EPI SUMMARY (v4.11) --------------------------
    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) =  5.33
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  438.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  89.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.28E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.04E-005  (Modified Grain method)
    Subcooled liquid VP: 9.42E-007 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000126 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.04411
       log Kow used: 5.33 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.871 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.23E-011  atm-m3/mole  (6.31E-006 Pa-m3/mole)
   Group Method:   8.68E-014  atm-m3/mole  (8.79E-009 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:  3.038E-006 atm-m3/mole  (3.078E-001 Pa-m3/mole)
      VP:   2.28E-007 mm Hg (source: MPBPVP)
      WS:   0.0441 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.33  (KowWin est)
  Log Kaw used:  -8.594  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.924
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0581
   Biowin2 (Non-Linear Model)     :   0.1449
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0633  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1702  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7663
   Biowin6 (MITI Non-Linear Model):   0.7217
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4616
 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):  0.000126 Pa (9.42E-007 mm Hg)
  Log Koa (Koawin est  ): 13.924
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0239 
       Octanol/air (Koa) model:  20.6 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.463 
       Mackay model           :  0.656 
       Octanol/air (Koa) model:  0.999 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  58.4593 E-12 cm3/molecule-sec
      Half-Life =     0.183 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.196 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.56 (Junge-Pankow, Mackay avg)
      0.999 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1830  L/kg (MCI method)
      Log Koc:  3.262       (MCI method)
      Koc    :  2953  L/kg (Kow method)
      Log Koc:  3.470       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  7.141E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.076  years  
  Kb Half-Life at pH 7:      30.758  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.808 (BCF = 64.27 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5593 days (HL = 0.02759 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.087 (BCF = 12.23)
   Log BAF Arnot-Gobas method (upper trophic) = 1.087 (BAF = 12.23)
       log Kow used: 5.33 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.68E-014 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.426E+010  hours   (5.94E+008 days)
    Half-Life from Model Lake : 1.555E+011  hours   (6.48E+009 days)
 
 Removal In Wastewater Treatment:
    Total removal:              85.72  percent
    Total biodegradation:        0.73  percent
    Total sludge adsorption:    84.99  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       2.88e-006       4.39         1000       
   Water     16              360          1000       
   Soil      83              720          1000       
   Sediment  0.957           3.24e+003    0          
     Persistence Time: 788 hr