CAS Num: 000627-93-0
SMILES : O=C(OC)CCCCC(=O)OC
CHEM   : Hexanedioic acid, dimethyl ester
MOL FOR: C8 H14 O4 
MOL WT : 174.20
------------------------------ 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) =  1.39
    Log Kow (Exper. database match) =  1.03
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  186.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -71.54  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.687  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  91.7  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  10.3 deg C
    BP  (exp database):  115 @ 13 mm Hg deg C
    VP  (exp database):  6.04E-02 mm Hg (8.05E+000 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7749
       log Kow used: 1.03 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  6000 mg/L ( deg C)
        Exper. Ref:  BENNETT,SR ET AL. (1984)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7098.1 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.77E-007  atm-m3/mole  (9.90E-002 Pa-m3/mole)
   Group Method:   1.28E-007  atm-m3/mole  (1.30E-002 Pa-m3/mole)
   Exper Database: 2.31E-06  atm-m3/mole  (2.34E-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:  2.032E-005 atm-m3/mole  (2.059E+000 Pa-m3/mole)
      VP:   0.687 mm Hg (source: MPBPVP)
      WS:   7.75E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.03  (exp database)
  Log Kaw used:  -4.025  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.055
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0130
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0946  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0543  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0799
   Biowin6 (MITI Non-Linear Model):   0.9844
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1246
 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):  8.05 Pa (0.0604 mm Hg)
  Log Koa (Koawin est  ): 5.055
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.73E-007 
       Octanol/air (Koa) model:  2.79E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.35E-005 
       Mackay model           :  2.98E-005 
       Octanol/air (Koa) model:  2.23E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.9736 E-12 cm3/molecule-sec
      Half-Life =     2.692 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    32.301 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.16E-005 (Junge-Pankow, Mackay avg)
      2.23E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  23.1  L/kg (Kow method)
      Log Koc:  1.364       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.327E-001  L/mol-sec
  Kb Half-Life at pH 8:      60.458  days   
  Kb Half-Life at pH 7:       1.655  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.347 (BCF = 2.221 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.6013 days (HL = 0.002504 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.050 (BCF = 1.123)
   Log BAF Arnot-Gobas method (upper trophic) = 0.050 (BAF = 1.123)
       log Kow used: 1.03 (expkow database)

 Volatilization from Water:
    Henry LC:  2.31E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      335.9  hours   (13.99 days)
    Half-Life from Model Lake :       3775  hours   (157.3 days)

 Removal In Wastewater Treatment:
    Total removal:               2.02  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.79  percent
    Total to Air:                0.13  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.72            30.6         1000       
   Water     39              360          1000       
   Soil      58.2            720          1000       
   Sediment  0.0878          3.24e+003    0          
     Persistence Time: 386 hr