CAS Num: 000579-94-2
SMILES : O=C(OC(C(CCC1C)C(C)C)C1)COCC
CHEM   : Acetic acid, ethoxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1.
         alpha.,2.beta.,5.alpha.)-
MOL FOR: C14 H26 O3 
MOL WT : 242.36
------------------------------ 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) =  4.11

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  285.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  30.44  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00368  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.491  (Modified Grain method)
    Subcooled liquid VP: 0.00412 mm Hg (25 deg C, Mod-Grain method)
                       : 0.549 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.021
       log Kow used: 4.11 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  104.31 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.09E-004  atm-m3/mole  (1.10E+001 Pa-m3/mole)
   Group Method:   3.30E-005  atm-m3/mole  (3.34E+000 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:  1.463E-004 atm-m3/mole  (1.482E+001 Pa-m3/mole)
      VP:   0.00368 mm Hg (source: MPBPVP)
      WS:   8.02 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.11  (KowWin est)
  Log Kaw used:  -2.351  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.461
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4590
   Biowin2 (Non-Linear Model)     :   0.5541
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7951  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7173  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4826
   Biowin6 (MITI Non-Linear Model):   0.2741
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0768
 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):  0.549 Pa (0.00412 mm Hg)
  Log Koa (Koawin est  ): 6.461
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.46E-006 
       Octanol/air (Koa) model:  7.1E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000197 
       Mackay model           :  0.000437 
       Octanol/air (Koa) model:  5.68E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.3079 E-12 cm3/molecule-sec
      Half-Life =     0.407 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.879 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000317 (Junge-Pankow, Mackay avg)
      5.68E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  419.7  L/kg (MCI method)
      Log Koc:  2.623       (MCI method)
      Koc    :  1102  L/kg (Kow method)
      Log Koc:  3.042       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.176E-001  L/mol-sec
  Kb Half-Life at pH 8:      25.257  days   
  Kb Half-Life at pH 7:     252.570  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.380 (BCF = 240 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5144 days (HL = 0.3059 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.075 (BCF = 118.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.075 (BAF = 118.9)
       log Kow used: 4.11 (estimated)

 Volatilization from Water:
    Henry LC:  0.000109 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      9.951  hours
    Half-Life from Model Lake :      239.1  hours   (9.962 days)

 Removal In Wastewater Treatment:
    Total removal:              38.04  percent
    Total biodegradation:        0.35  percent
    Total sludge adsorption:    34.31  percent
    Total to Air:                3.38  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.22            9.76         1000       
   Water     22              360          1000       
   Soil      76.4            720          1000       
   Sediment  0.374           3.24e+003    0          
     Persistence Time: 422 hr