CAS Number: 103-24-2
SMILES : O=C(OCC(CCCC)CC)CCCCCCCC(=O)OCC(CCCC)CC
CHEM   : Nonanedioic acid, bis(2-ethylhexyl) ester
MOL FOR: C25 H48 O4 
MOL WT : 412.66
------------------------------ 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) =  9.59
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  414.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  40.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.78E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000504  (Modified Grain method)
    MP  (exp database):  -78 deg C
    BP  (exp database):  237 @ 5 mm Hg deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.655e-005
       log Kow used: 9.59 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.5063e-005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.21E-004  atm-m3/mole  (1.22E+001 Pa-m3/mole)
   Group Method:   6.00E-005  atm-m3/mole  (6.08E+000 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:  1.240E-001 atm-m3/mole  (1.257E+004 Pa-m3/mole)
      VP:   3.78E-006 mm Hg (source: MPBPVP)
      WS:   1.65E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.59  (KowWin est)
  Log Kaw used:  -2.306  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.896
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1163
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1643  (weeks       )
   Biowin4 (Primary Survey Model) :   4.2484  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9123
   Biowin6 (MITI Non-Linear Model):   0.9361
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3362
 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):  0.000504 Pa (3.78E-006 mm Hg)
  Log Koa (Koawin est  ): 11.896
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00595 
       Octanol/air (Koa) model:  0.193 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.177 
       Mackay model           :  0.323 
       Octanol/air (Koa) model:  0.939 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  29.5905 E-12 cm3/molecule-sec
      Half-Life =     0.361 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.338 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.25 (Junge-Pankow, Mackay avg)
      0.939 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.179E+005  L/kg (MCI method)
      Log Koc:  5.338       (MCI method)
      Koc    :  1.254E+006  L/kg (Kow method)
      Log Koc:  6.098       (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 = 2.259 (BCF = 181.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0919 days (HL = 0.8092 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.116 (BCF = 1.307)
   Log BAF Arnot-Gobas method (upper trophic) = 0.276 (BAF = 1.887)
       log Kow used: 9.59 (estimated)
 
 Volatilization from Water:
    Henry LC:  6E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       21.9  hours
    Half-Life from Model Lake :      409.2  hours   (17.05 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       0.731           8.68         1000       
   Water     23.7            360          1000       
   Soil      74.7            720          1000       
   Sediment  0.781           3.24e+003    0          
     Persistence Time: 482 hr