CAS Number: 68966-86-9
SMILES : O=C(C1CC2(C=CC1(CC2)C)C(C)C)OC
CHEM   : Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 1(or 4)-methyl-4(or 1)-(1-
         methylethyl)-, methyl ester
MOL FOR: C14 H22 O2 
MOL WT : 222.33
------------------------------ EPI SUMMARY (v4.00) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.62
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  259.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  56.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00814  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.08  (Modified Grain method)
    Subcooled liquid VP: 0.0159 mm Hg (25 deg C, Mod-Grain method)
                       : 2.12 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.762
       log Kow used: 4.62 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.983 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.77E-004  atm-m3/mole  (6.86E+001 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:  6.330E-004 atm-m3/mole  (6.414E+001 Pa-m3/mole)
      VP:   0.00814 mm Hg (source: MPBPVP)
      WS:   3.76 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.62  (KowWin est)
  Log Kaw used:  -1.558  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.178
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4480
   Biowin2 (Non-Linear Model)     :   0.6189
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4238  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4490  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5647
   Biowin6 (MITI Non-Linear Model):   0.4916
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6123
 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):  2.12 Pa (0.0159 mm Hg)
  Log Koa (Koawin est  ): 6.178
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.42E-006 
       Octanol/air (Koa) model:  3.7E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.11E-005 
       Mackay model           :  0.000113 
       Octanol/air (Koa) model:  2.96E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  64.6546 E-12 cm3/molecule-sec
      Half-Life =     0.165 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.985 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      8.22E-005 (Junge-Pankow, Mackay avg)
      2.96E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1507  L/kg (MCI method)
      Log Koc:  3.178       (MCI method)
      Koc    :  2600  L/kg (Kow method)
      Log Koc:  3.415       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.146E-006  L/mol-sec
  Kb Half-Life at pH 8:    6980.589  years  
  Kb Half-Life at pH 7: 6.981E+004  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.718 (BCF = 522.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1075 days (HL = 0.7807 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.485 (BCF = 305.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.486 (BAF = 306)
       log Kow used: 4.62 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000677 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.811  hours
    Half-Life from Model Lake :      155.7  hours   (6.487 days)
 
 Removal In Wastewater Treatment:
    Total removal:              67.25  percent
    Total biodegradation:        0.51  percent
    Total sludge adsorption:    58.23  percent
    Total to Air:                8.51  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.363           3.87         1000       
   Water     11.5            900          1000       
   Soil      87.2            1.8e+003     1000       
   Sediment  0.972           8.1e+003     0          
     Persistence Time: 816 hr