CAS Num: 001119-40-0
SMILES : O=C(OC)CCCC(=O)OC
CHEM   : Pentanedioic acid, dimethyl ester
MOL FOR: C7 H12 O4 
MOL WT : 160.17
------------------------------ 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) =  0.90
    Log Kow (Exper. database match) =  0.62
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  166.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -83.29  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.178  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  23.7  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -42.5 deg C
    BP  (exp database):  214 deg C
    VP  (exp database):  1.80E-01 mm Hg (2.40E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.019e+004
       log Kow used: 0.62 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5.9e+004 mg/L (25 deg C)
        Exper. Ref:  CHEM EVAL RES INST JAPAN (2002)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  22475 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.36E-007  atm-m3/mole  (7.45E-002 Pa-m3/mole)
   Group Method:   9.09E-008  atm-m3/mole  (9.21E-003 Pa-m3/mole)
   Exper Database: 6.43E-07  atm-m3/mole  (6.52E-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:  1.858E-006 atm-m3/mole  (1.883E-001 Pa-m3/mole)
      VP:   0.178 mm Hg (source: MPBPVP)
      WS:   2.02E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.62  (exp database)
  Log Kaw used:  -4.580  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.200
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0197
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1256  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0746  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0722
   Biowin6 (MITI Non-Linear Model):   0.9840
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0986
 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):  24 Pa (0.18 mm Hg)
  Log Koa (Koawin est  ): 5.200
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.25E-007 
       Octanol/air (Koa) model:  3.89E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.51E-006 
       Mackay model           :  1E-005 
       Octanol/air (Koa) model:  3.11E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.5605 E-12 cm3/molecule-sec
      Half-Life =     4.177 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    50.127 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.26E-006 (Junge-Pankow, Mackay avg)
      3.11E-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    :  13.7  L/kg (Kow method)
      Log Koc:  1.137       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.7155 days (HL = 0.001925 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.013 (BCF = 0.9713)
   Log BAF Arnot-Gobas method (upper trophic) = -0.013 (BAF = 0.9713)
       log Kow used: 0.62 (expkow database)

 Volatilization from Water:
    Henry LC:  6.43E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1154  hours   (48.07 days)
    Half-Life from Model Lake : 1.269E+004  hours   (528.8 days)

 Removal In Wastewater Treatment:
    Total removal:               1.90  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.52            77.8         1000       
   Water     36.8            360          1000       
   Soil      59.6            720          1000       
   Sediment  0.0828          3.24e+003    0          
     Persistence Time: 432 hr