CAS Num: 000577-11-7
SMILES : CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O[Na]
CHEM   : Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt
MOL FOR: C20 H37 O7 S1 Na1 
MOL WT : 444.56
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.95

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  683.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  298.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.22E-014  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.63E-012  (Modified Grain method)
    MP  (exp database):  176 deg C
    Subcooled liquid VP: 4.5E-013 mm Hg (25 deg C, Mod-Grain method)
                       : 6E-011 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.06088
       log Kow used: 3.95 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  7.1e+004 mg/L (25 deg C)
        Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.018655 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.02E-012  atm-m3/mole  (5.09E-007 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:  1.172E-013 atm-m3/mole  (1.188E-008 Pa-m3/mole)
      VP:   1.22E-014 mm Hg (source: MPBPVP)
      WS:   0.0609 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.95  (KowWin est)
  Log Kaw used:  -9.688  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.638
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2200
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3350  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.4113  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5356
   Biowin6 (MITI Non-Linear Model):   0.4308
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0144
 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):  6E-011 Pa (4.5E-013 mm Hg)
  Log Koa (Koawin est  ): 13.638
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5E+004 
       Octanol/air (Koa) model:  10.7 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.999 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.9088 E-12 cm3/molecule-sec
      Half-Life =     0.467 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.603 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (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    :  759.6  L/kg (MCI method)
      Log Koc:  2.881       (MCI method)
      Koc    :  952.3  L/kg (Kow method)
      Log Koc:  2.979       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.301E-002  L/mol-sec
  Kb Half-Life at pH 8:     242.987  days   
  Kb Half-Life at pH 7:       6.653  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5273 days (HL = 0.02969 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.038 (BCF = 10.91)
   Log BAF Arnot-Gobas method (upper trophic) = 1.038 (BAF = 10.91)
       log Kow used: 6.10 (estimated)

 Volatilization from Water:
    Henry LC:  5.02E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.459E+008  hours   (1.025E+007 days)
    Half-Life from Model Lake : 2.683E+009  hours   (1.118E+008 days)

 Removal In Wastewater Treatment:
    Total removal:              27.83  percent
    Total biodegradation:        0.30  percent
    Total sludge adsorption:    27.53  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       0.932           11.2         1000       
   Water     23.5            208          1000       
   Soil      75.1            416          1000       
   Sediment  0.467           1.87e+003    0          
     Persistence Time: 340 hr