CAS Num: 000624-17-9
SMILES : O=C(OCC)CCCCCCCC(=O)OCC
CHEM   : Nonanedioic acid, diethyl ester
MOL FOR: C13 H24 O4 
MOL WT : 244.33
------------------------------ 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) =  3.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  278.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -16.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00306  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.408  (Modified Grain method)
    MP  (exp database):  -18.5 deg C
    BP  (exp database):  291.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  13.3
       log Kow used: 3.84 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  250 mg/L (25 deg C)
        Exper. Ref:  SUZUKI,T (1991)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20.558 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.03E-006  atm-m3/mole  (4.08E-001 Pa-m3/mole)
   Group Method:   6.58E-007  atm-m3/mole  (6.67E-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:  7.397E-005 atm-m3/mole  (7.495E+000 Pa-m3/mole)
      VP:   0.00306 mm Hg (source: MPBPVP)
      WS:   13.3 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.84  (KowWin est)
  Log Kaw used:  -3.783  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.623
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9796
   Biowin2 (Non-Linear Model)     :   0.9995
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9396  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9531  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1183
   Biowin6 (MITI Non-Linear Model):   0.9862
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2546
 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):  0.408 Pa (0.00306 mm Hg)
  Log Koa (Koawin est  ): 7.623
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.35E-006 
       Octanol/air (Koa) model:  1.03E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000266 
       Mackay model           :  0.000588 
       Octanol/air (Koa) model:  0.000824 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.1009 E-12 cm3/molecule-sec
      Half-Life =     0.964 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.562 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000427 (Junge-Pankow, Mackay avg)
      0.000824 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  191.2  L/kg (MCI method)
      Log Koc:  2.282       (MCI method)
      Koc    :  827.8  L/kg (Kow method)
      Log Koc:  2.918       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.253E-001  L/mol-sec
  Kb Half-Life at pH 8:      64.011  days   
  Kb Half-Life at pH 7:       1.753  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.202 (BCF = 159.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.7958 days (HL = 0.016 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.879 (BCF = 7.573)
   Log BAF Arnot-Gobas method (upper trophic) = 0.879 (BAF = 7.573)
       log Kow used: 3.84 (estimated)

 Volatilization from Water:
    Henry LC:  6.58E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1392  hours   (58.02 days)
    Half-Life from Model Lake : 1.532E+004  hours   (638.4 days)

 Removal In Wastewater Treatment:
    Total removal:              23.35  percent
    Total biodegradation:        0.27  percent
    Total sludge adsorption:    23.06  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       1.57            23.1         1000       
   Water     25.2            360          1000       
   Soil      73              720          1000       
   Sediment  0.233           3.24e+003    0          
     Persistence Time: 484 hr