CAS Num: 000539-88-8
SMILES : O=C(OCC)CCC(=O)C
CHEM   : Pentanoic acid, 4-oxo-, ethyl ester
MOL FOR: C7 H12 O3 
MOL WT : 144.17
------------------------------ 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) =  0.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  189.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -7.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.27  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  36  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  205.8 deg C
    VP  (exp database):  2.08E-01 mm Hg (2.77E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.566e+004
       log Kow used: 0.29 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  61223 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.08E-007  atm-m3/mole  (2.11E-002 Pa-m3/mole)
   Group Method:   2.94E-008  atm-m3/mole  (2.98E-003 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:  1.122E-006 atm-m3/mole  (1.137E-001 Pa-m3/mole)
      VP:   0.27 mm Hg (source: MPBPVP)
      WS:   4.57E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.29  (KowWin est)
  Log Kaw used:  -5.070  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.360
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8599
   Biowin2 (Non-Linear Model)     :   0.9899
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9983  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8465  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8938
   Biowin6 (MITI Non-Linear Model):   0.9512
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5349
 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):  27.7 Pa (0.208 mm Hg)
  Log Koa (Koawin est  ): 5.360
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.08E-007 
       Octanol/air (Koa) model:  5.62E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.91E-006 
       Mackay model           :  8.65E-006 
       Octanol/air (Koa) model:  4.5E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.7545 E-12 cm3/molecule-sec
      Half-Life =     2.849 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    34.186 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.28E-006 (Junge-Pankow, Mackay avg)
      4.5E-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    :  16.43  L/kg (Kow method)
      Log Koc:  1.216       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.465E-002  L/mol-sec
  Kb Half-Life at pH 8:     179.673  days   
  Kb Half-Life at pH 7:       4.919  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) = -2.1961 days (HL = 0.006366 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.029 (BCF = 0.9345)
   Log BAF Arnot-Gobas method (upper trophic) = -0.029 (BAF = 0.9345)
       log Kow used: 0.29 (estimated)

 Volatilization from Water:
    Henry LC:  2.94E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.391E+004  hours   (996.4 days)
    Half-Life from Model Lake :  2.61E+005  hours   (1.087E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.55            68.4         1000       
   Water     31.6            360          1000       
   Soil      67.8            720          1000       
   Sediment  0.0712          3.24e+003    0          
     Persistence Time: 592 hr