CAS Num: 005444-75-7
SMILES : O=C(OCC(CCCC)CC)c(cccc1)c1
CHEM   : Benzoic acid, 2-ethylhexyl ester
MOL FOR: C15 H22 O2 
MOL WT : 234.34
------------------------------ 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) =  5.19

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  305.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  52.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000797  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.106  (Modified Grain method)
    Subcooled liquid VP: 0.00142 mm Hg (25 deg C, Mod-Grain method)
                       : 0.189 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.061
       log Kow used: 5.19 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.7547 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.52E-004  atm-m3/mole  (2.56E+001 Pa-m3/mole)
   Group Method:   2.34E-004  atm-m3/mole  (2.37E+001 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:  2.316E-004 atm-m3/mole  (2.347E+001 Pa-m3/mole)
      VP:   0.000797 mm Hg (source: MPBPVP)
      WS:   1.06 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.19  (KowWin est)
  Log Kaw used:  -1.987  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.177
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0467
   Biowin2 (Non-Linear Model)     :   0.9994
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1419  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0126  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5970
   Biowin6 (MITI Non-Linear Model):   0.7097
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2362
 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):  0.189 Pa (0.00142 mm Hg)
  Log Koa (Koawin est  ): 7.177
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.58E-005 
       Octanol/air (Koa) model:  3.69E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000572 
       Mackay model           :  0.00127 
       Octanol/air (Koa) model:  0.000295 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.5368 E-12 cm3/molecule-sec
      Half-Life =     0.927 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.125 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000919 (Junge-Pankow, Mackay avg)
      0.000295 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4133  L/kg (MCI method)
      Log Koc:  3.616       (MCI method)
      Koc    :  5373  L/kg (Kow method)
      Log Koc:  3.730       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.058E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.067  years  
  Kb Half-Life at pH 7:      10.671  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.093 (BCF = 1239 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5477 days (HL = 0.2833 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.068 (BCF = 116.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.068 (BAF = 117)
       log Kow used: 5.19 (estimated)

 Volatilization from Water:
    Henry LC:  0.000234 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      5.392  hours
    Half-Life from Model Lake :      187.2  hours   (7.799 days)

 Removal In Wastewater Treatment:
    Total removal:              83.32  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    81.34  percent
    Total to Air:                1.29  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.36            22.3         1000       
   Water     18.2            360          1000       
   Soil      77.1            720          1000       
   Sediment  2.32            3.24e+003    0          
     Persistence Time: 444 hr