CAS Number: 115724-27-1
SMILES : CC1CCC(C(C1)C(C)(C)C)OC(=O)C
CHEM   : (2-tert-butyl-4-methylcyclohexyl) acetate
MOL FOR: C13 H24 O2 
MOL WT : 212.34
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.84
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  245.37  (Adapted Stein & Brown method)
    Melting Pt (deg C):  18.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0348  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.65  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.778
       log Kow used: 4.84 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  24.559 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.31E-003  atm-m3/mole  (1.33E+002 Pa-m3/mole)
   Group Method:   1.17E-003  atm-m3/mole  (1.19E+002 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:  3.500E-003 atm-m3/mole  (3.546E+002 Pa-m3/mole)
      VP:   0.0348 mm Hg (source: MPBPVP)
      WS:   2.78 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.84  (KowWin est)
  Log Kaw used:  -1.271  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.111
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6367
   Biowin2 (Non-Linear Model)     :   0.9129
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6580  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6169  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5904
   Biowin6 (MITI Non-Linear Model):   0.4156
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0342
 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):  4.49 Pa (0.0337 mm Hg)
  Log Koa (Koawin est  ): 6.111
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.68E-007 
       Octanol/air (Koa) model:  3.17E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.41E-005 
       Mackay model           :  5.34E-005 
       Octanol/air (Koa) model:  2.54E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.1916 E-12 cm3/molecule-sec
      Half-Life =     0.661 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.927 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.88E-005 (Junge-Pankow, Mackay avg)
      2.54E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  707.2  L/kg (MCI method)
      Log Koc:  2.850       (MCI method)
      Koc    :  3441  L/kg (Kow method)
      Log Koc:  3.537       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.014E-002  L/mol-sec
  Kb Half-Life at pH 8:     266.184  days   
  Kb Half-Life at pH 7:       7.288  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.860 (BCF = 725.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1009 days (HL = 0.7928 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.501 (BCF = 317)
   Log BAF Arnot-Gobas method (upper trophic) = 2.502 (BAF = 317.7)
       log Kow used: 4.84 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00117 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.216  hours
    Half-Life from Model Lake :      146.4  hours   (6.098 days)
 
 Removal In Wastewater Treatment:
    Total removal:              76.62  percent
    Total biodegradation:        0.55  percent
    Total sludge adsorption:    66.73  percent
    Total to Air:                9.34  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.04            15.9         1000       
   Water     14.9            900          1000       
   Soil      82.4            1.8e+003     1000       
   Sediment  0.582           8.1e+003     0          
     Persistence Time: 596 hr