CAS Number: 105-72-6
SMILES : O=C(OCCOC(=O)CCC)CCC
CHEM   : Butanoic acid, 1,2-ethanediyl ester
MOL FOR: C10 H18 O4 
MOL WT : 202.25
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  2.37
    Log Kow (Exper. database match) =  2.16
       Exper. Ref:  FUNASAKI,N ET AL. (1984)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  226.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -48.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0261  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.48  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -5.9 deg C
    BP  (exp database):  250.8 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  609.3
       log Kow used: 2.16 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  500 mg/L ( deg C)
        Exper. Ref:  BEILSTEIN
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  694.95 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.72E-006  atm-m3/mole  (1.74E-001 Pa-m3/mole)
   Group Method:   2.34E-007  atm-m3/mole  (2.37E-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:  1.140E-005 atm-m3/mole  (1.155E+000 Pa-m3/mole)
      VP:   0.0261 mm Hg (source: MPBPVP)
      WS:   609 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.16  (exp database)
  Log Kaw used:  -4.153  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.313
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9996
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0326  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0139  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0952
   Biowin6 (MITI Non-Linear Model):   0.9852
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1766
 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):  3.4 Pa (0.0255 mm Hg)
  Log Koa (Koawin est  ): 6.313
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.82E-007 
       Octanol/air (Koa) model:  5.05E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.19E-005 
       Mackay model           :  7.06E-005 
       Octanol/air (Koa) model:  4.04E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.0207 E-12 cm3/molecule-sec
      Half-Life =     1.523 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    18.282 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.12E-005 (Junge-Pankow, Mackay avg)
      4.04E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  31.59  L/kg (MCI method)
      Log Koc:  1.500       (MCI method)
      Koc    :  97.43  L/kg (Kow method)
      Log Koc:  1.989       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.730E-001  L/mol-sec
  Kb Half-Life at pH 8:      29.387  days   
  Kb Half-Life at pH 7:     293.868  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.092 (BCF = 12.36 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.2776 days (HL = 0.005277 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.466 (BCF = 2.924)
   Log BAF Arnot-Gobas method (upper trophic) = 0.466 (BAF = 2.924)
       log Kow used: 2.16 (expkow database)
 
 Volatilization from Water:
    Henry LC:  2.34E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       3560  hours   (148.3 days)
    Half-Life from Model Lake : 3.895E+004  hours   (1623 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.43  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.32  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.73            36.6         1000       
   Water     29.5            360          1000       
   Soil      68.7            720          1000       
   Sediment  0.0928          3.24e+003    0          
     Persistence Time: 494 hr