CAS Num: 000110-40-7
SMILES : O=C(OCC)CCCCCCCCC(=O)OCC
CHEM   : Decanedioic acid, diethyl ester
MOL FOR: C14 H26 O4 
MOL WT : 258.36
------------------------------ 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) =  4.33

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  293.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -6.58  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0015  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.199  (Modified Grain method)
    MP  (exp database):  5 deg C
    BP  (exp database):  305 deg C
    VP  (exp database):  5.08E-04 mm Hg (6.77E-002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.231
       log Kow used: 4.33 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  80 mg/L (20 deg C)
        Exper. Ref:  STEPHEN,H & STEPHEN,T (1963)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.3126 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.35E-006  atm-m3/mole  (5.42E-001 Pa-m3/mole)
   Group Method:   9.30E-007  atm-m3/mole  (9.42E-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:  1.205E-004 atm-m3/mole  (1.221E+001 Pa-m3/mole)
      VP:   0.0015 mm Hg (source: MPBPVP)
      WS:   4.23 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.33  (KowWin est)
  Log Kaw used:  -3.660  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.990
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9729
   Biowin2 (Non-Linear Model)     :   0.9994
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9086  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9329  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1260
   Biowin6 (MITI Non-Linear Model):   0.9865
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2805
 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):  0.0677 Pa (0.000508 mm Hg)
  Log Koa (Koawin est  ): 7.990
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.43E-005 
       Octanol/air (Koa) model:  2.4E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0016 
       Mackay model           :  0.00353 
       Octanol/air (Koa) model:  0.00192 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.5139 E-12 cm3/molecule-sec
      Half-Life =     0.855 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.257 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00256 (Junge-Pankow, Mackay avg)
      0.00192 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  348.5  L/kg (MCI method)
      Log Koc:  2.542       (MCI method)
      Koc    :  1545  L/kg (Kow method)
      Log Koc:  3.189       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.697E-002  L/mol-sec
  Kb Half-Life at pH 8:     140.816  days   
  Kb Half-Life at pH 7:       3.855  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.152 (BCF = 14.19 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6567 days (HL = 0.02205 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.100 (BCF = 12.59)
   Log BAF Arnot-Gobas method (upper trophic) = 1.100 (BAF = 12.59)
       log Kow used: 4.33 (estimated)

 Volatilization from Water:
    Henry LC:  9.3E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1014  hours   (42.23 days)
    Half-Life from Model Lake : 1.119E+004  hours   (466.3 days)

 Removal In Wastewater Treatment:
    Total removal:              46.91  percent
    Total biodegradation:        0.45  percent
    Total sludge adsorption:    46.43  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       1.48            20.5         1000       
   Water     24.7            360          1000       
   Soil      73.4            720          1000       
   Sediment  0.362           3.24e+003    0          
     Persistence Time: 481 hr