CAS Num: 059151-19-8
SMILES : O=C(C1C(=CC(=O)CC1CCCCC)C)OCC
CHEM   : 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl este
         r
MOL FOR: C15 H24 O3 
MOL WT : 252.36
------------------------------ 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) =  4.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  337.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  97.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.13E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00683  (Modified Grain method)
    Subcooled liquid VP: 0.000262 mm Hg (25 deg C, Mod-Grain method)
                       : 0.035 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.423
       log Kow used: 4.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.7268 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Vinyl/Allyl Ketones

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.90E-007  atm-m3/mole  (4.96E-002 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.295E-006 atm-m3/mole  (2.325E-001 Pa-m3/mole)
      VP:   5.13E-005 mm Hg (source: MPBPVP)
      WS:   7.42 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.09  (KowWin est)
  Log Kaw used:  -4.698  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.788
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9168
   Biowin2 (Non-Linear Model)     :   0.9926
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0576  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9595  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7220
   Biowin6 (MITI Non-Linear Model):   0.6752
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0749
 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):  0.0349 Pa (0.000262 mm Hg)
  Log Koa (Koawin est  ): 8.788
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.59E-005 
       Octanol/air (Koa) model:  0.000151 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00309 
       Mackay model           :  0.00682 
       Octanol/air (Koa) model:  0.0119 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  98.6109 E-12 cm3/molecule-sec
      Half-Life =     0.108 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.302 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00496 (Junge-Pankow, Mackay avg)
      0.0119 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  451.6  L/kg (MCI method)
      Log Koc:  2.655       (MCI method)
      Koc    :  2077  L/kg (Kow method)
      Log Koc:  3.317       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.249E-005  L/mol-sec
  Kb Half-Life at pH 8:     675.915  years  
  Kb Half-Life at pH 7:    6759.149  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.364 (BCF = 231 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7580 days (HL = 0.1746 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.849 (BCF = 70.7)
   Log BAF Arnot-Gobas method (upper trophic) = 1.849 (BAF = 70.7)
       log Kow used: 4.09 (estimated)

 Volatilization from Water:
    Henry LC:  4.9E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1900  hours   (79.16 days)
    Half-Life from Model Lake : 2.086E+004  hours   (869.1 days)

 Removal In Wastewater Treatment:
    Total removal:              34.35  percent
    Total biodegradation:        0.35  percent
    Total sludge adsorption:    33.98  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.156           1.53         1000       
   Water     25.3            360          1000       
   Soil      74.1            720          1000       
   Sediment  0.458           3.24e+003    0          
     Persistence Time: 460 hr