CAS Num: 000084-66-2
SMILES : O=C(OCC)c(c(ccc1)C(=O)OCC)c1
CHEM   : 1,2-Benzenedicarboxylic acid, diethyl ester
MOL FOR: C12 H14 O4 
MOL WT : 222.24
------------------------------ 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) =  2.65
    Log Kow (Exper. database match) =  2.42
       Exper. Ref:  ELLINGTON,JT & FLOYD,TL (1996)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  282.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -1.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00254  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.339  (Modified Grain method)
    MP  (exp database):  -40.5 deg C
    BP  (exp database):  295 deg C
    VP  (exp database):  2.10E-03 mm Hg (2.80E-001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  287.2
       log Kow used: 2.42 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1080 mg/L (25 deg C)
        Exper. Ref:  HOWARD,PH ET AL. (1985)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  719.88 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.94E-007  atm-m3/mole  (3.99E-002 Pa-m3/mole)
   Group Method:   1.12E-007  atm-m3/mole  (1.13E-002 Pa-m3/mole)
   Exper Database: 6.10E-07  atm-m3/mole  (6.18E-002 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:  2.586E-006 atm-m3/mole  (2.620E-001 Pa-m3/mole)
      VP:   0.00254 mm Hg (source: MPBPVP)
      WS:   287 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.42  (exp database)
  Log Kaw used:  -4.603  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.023
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9901
   Biowin2 (Non-Linear Model)     :   0.9997
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9885  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9850  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8710
   Biowin6 (MITI Non-Linear Model):   0.9153
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6909
 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):  0.28 Pa (0.0021 mm Hg)
  Log Koa (Koawin est  ): 7.023
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.07E-005 
       Octanol/air (Koa) model:  2.59E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000387 
       Mackay model           :  0.000856 
       Octanol/air (Koa) model:  0.000207 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.4658 E-12 cm3/molecule-sec
      Half-Life =     3.086 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    37.034 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000622 (Junge-Pankow, Mackay avg)
      0.000207 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  104.9  L/kg (MCI method)
      Log Koc:  2.021       (MCI method)
      Koc    :  135.7  L/kg (Kow method)
      Log Koc:  2.132       (Kow method)
       Experimental Log Koc:  1.84  (database)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  7.551E-002  L/mol-sec
  Kb Half-Life at pH 8:     106.231  days   
  Kb Half-Life at pH 7:       2.908  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.264 (BCF = 18.35 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.7079 days (HL = 0.01959 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.770 (BCF = 5.889)
   Log BAF Arnot-Gobas method (upper trophic) = 0.770 (BAF = 5.889)
       log Kow used: 2.42 (expkow database)

 Volatilization from Water:
    Henry LC:  6.1E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1432  hours   (59.68 days)
    Half-Life from Model Lake : 1.575E+004  hours   (656.3 days)

 Removal In Wastewater Treatment:
    Total removal:               2.92  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.79  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.77            74.1         1000       
   Water     25.4            360          1000       
   Soil      71.7            720          1000       
   Sediment  0.153           3.24e+003    0          
     Persistence Time: 508 hr