CAS Num: 006947-02-0
SMILES : O=C(CC(=O)C)OC1CCCCC1
CHEM   : Butanoic acid, 3-oxo-, cyclohexyl ester
MOL FOR: C10 H16 O3 
MOL WT : 184.24
------------------------------ 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) =  1.58

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  254.68  (Adapted Stein & Brown method)
    Melting Pt (deg C):  31.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0181  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.41  (Modified Grain method)
    Subcooled liquid VP: 0.0209 mm Hg (25 deg C, Mod-Grain method)
                       : 2.79 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2371
       log Kow used: 1.58 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  230 mg/L (35 deg C)
        Exper. Ref:  BEILSTEIN

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12765 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.14E-007  atm-m3/mole  (2.17E-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:  1.851E-006 atm-m3/mole  (1.875E-001 Pa-m3/mole)
      VP:   0.0181 mm Hg (source: MPBPVP)
      WS:   2.37E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.58  (KowWin est)
  Log Kaw used:  -5.058  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.638
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8408
   Biowin2 (Non-Linear Model)     :   0.9823
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9098  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7887  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7864
   Biowin6 (MITI Non-Linear Model):   0.8796
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0018
 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):  2.79 Pa (0.0209 mm Hg)
  Log Koa (Koawin est  ): 6.638
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.08E-006 
       Octanol/air (Koa) model:  1.07E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.89E-005 
       Mackay model           :  8.61E-005 
       Octanol/air (Koa) model:  8.53E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.0804 E-12 cm3/molecule-sec
      Half-Life =     0.885 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.625 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.25E-005 (Junge-Pankow, Mackay avg)
      8.53E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  24.9  L/kg (MCI method)
      Log Koc:  1.396       (MCI method)
      Koc    :  84.93  L/kg (Kow method)
      Log Koc:  1.929       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.344E-001  L/mol-sec
  Kb Half-Life at pH 8:      59.701  days   
  Kb Half-Life at pH 7:       1.635  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.706 (BCF = 5.085 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.7028 days (HL = 0.01982 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.374 (BCF = 2.364)
   Log BAF Arnot-Gobas method (upper trophic) = 0.374 (BAF = 2.364)
       log Kow used: 1.58 (estimated)

 Volatilization from Water:
    Henry LC:  2.14E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       3715  hours   (154.8 days)
    Half-Life from Model Lake : 4.064E+004  hours   (1693 days)

 Removal In Wastewater Treatment:
    Total removal:               2.01  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.90  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       1.35            21.2         1000       
   Water     31.5            360          1000       
   Soil      67.1            720          1000       
   Sediment  0.0905          3.24e+003    0          
     Persistence Time: 467 hr