CAS Num: 067801-64-3
SMILES : O=C(OCC)OC(C(C(C)(C)C)CCC1)C1
CHEM   : Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester
MOL FOR: C13 H24 O3 
MOL WT : 228.33
------------------------------ 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) =  4.77

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  280.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -7.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00543  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.724  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.601
       log Kow used: 4.77 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15.702 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.65E-003  atm-m3/mole  (4.71E+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:  6.272E-004 atm-m3/mole  (6.355E+001 Pa-m3/mole)
      VP:   0.00543 mm Hg (source: MPBPVP)
      WS:   2.6 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.77  (KowWin est)
  Log Kaw used:  -0.721  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.491
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4549
   Biowin2 (Non-Linear Model)     :   0.1238
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4825  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3649  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2553
   Biowin6 (MITI Non-Linear Model):   0.0778
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1916
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.724 Pa (0.00543 mm Hg)
  Log Koa (Koawin est  ): 5.491
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.14E-006 
       Octanol/air (Koa) model:  7.6E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00015 
       Mackay model           :  0.000331 
       Octanol/air (Koa) model:  6.08E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.1218 E-12 cm3/molecule-sec
      Half-Life =     0.663 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.961 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000241 (Junge-Pankow, Mackay avg)
      6.08E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  754.4  L/kg (MCI method)
      Log Koc:  2.878       (MCI method)
      Koc    :  2159  L/kg (Kow method)
      Log Koc:  3.334       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.817 (BCF = 656.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4611 days (HL = 2.891 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.996 (BCF = 990.8)
   Log BAF Arnot-Gobas method (upper trophic) = 3.007 (BAF = 1015)
       log Kow used: 4.77 (estimated)

 Volatilization from Water:
    Henry LC:  0.00465 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.732  hours
    Half-Life from Model Lake :      145.6  hours   (6.067 days)

 Removal In Wastewater Treatment:
    Total removal:              82.95  percent
    Total biodegradation:        0.40  percent
    Total sludge adsorption:    56.52  percent
    Total to Air:               26.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.3             15.9         1000       
   Water     24.5            900          1000       
   Soil      70.2            1.8e+003     1000       
   Sediment  1.02            8.1e+003     0          
     Persistence Time: 333 hr