CAS Num: 068039-44-1
SMILES : O=C(OC(C(C(C(C12)C=C3)C3)C1)C2)C(C)(C)C
CHEM   : Propanoic acid, 2,2-dimethyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H
         -inden-6-yl ester
MOL FOR: C15 H22 O2 
MOL WT : 234.34
------------------------------ 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) =  4.21

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  283.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  62.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00208  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.277  (Modified Grain method)
    Subcooled liquid VP: 0.00465 mm Hg (25 deg C, Mod-Grain method)
                       : 0.62 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.331
       log Kow used: 4.21 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.9469 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.96E-004  atm-m3/mole  (4.01E+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:  8.748E-005 atm-m3/mole  (8.864E+000 Pa-m3/mole)
      VP:   0.00208 mm Hg (source: MPBPVP)
      WS:   7.33 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.21  (KowWin est)
  Log Kaw used:  -1.791  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.001
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6262
   Biowin2 (Non-Linear Model)     :   0.8847
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6094  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5852  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5613
   Biowin6 (MITI Non-Linear Model):   0.2285
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1252
 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):  0.62 Pa (0.00465 mm Hg)
  Log Koa (Koawin est  ): 6.001
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.84E-006 
       Octanol/air (Koa) model:  2.46E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000175 
       Mackay model           :  0.000387 
       Octanol/air (Koa) model:  1.97E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  67.7639 E-12 cm3/molecule-sec
      Half-Life =     0.158 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.894 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec
      Half-Life =     0.057 Days (at 7E11 mol/cm3)
      Half-Life =      1.375 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.000281 (Junge-Pankow, Mackay avg)
      1.97E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2852  L/kg (MCI method)
      Log Koc:  3.455       (MCI method)
      Koc    :  1542  L/kg (Kow method)
      Log Koc:  3.188       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.457E-003  L/mol-sec
  Kb Half-Life at pH 8:      15.073  years  
  Kb Half-Life at pH 7:     150.727  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.444 (BCF = 278.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0292 days (HL = 1.069 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.551 (BCF = 356)
   Log BAF Arnot-Gobas method (upper trophic) = 2.552 (BAF = 356.3)
       log Kow used: 4.21 (estimated)

 Volatilization from Water:
    Henry LC:  0.000396 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.825  hours
    Half-Life from Model Lake :      170.1  hours   (7.087 days)

 Removal In Wastewater Treatment:
    Total removal:              47.45  percent
    Total biodegradation:        0.36  percent
    Total sludge adsorption:    38.03  percent
    Total to Air:                9.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0788          1.01         1000       
   Water     10.9            900          1000       
   Soil      87.2            1.8e+003     1000       
   Sediment  1.78            8.1e+003     0          
     Persistence Time: 926 hr