CAS Num: 072257-53-5
SMILES : O=C(OC(C(OC(C1C2)(C)C)(C2)C)C1)C
CHEM   : 2-Oxabicyclo 2.2.2 octan-6-ol, 1,3,3-trimethyl-, acetate
MOL FOR: C12 H20 O3 
MOL WT : 212.29
------------------------------ 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) =  2.60

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  250.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  51.38  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0148  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.98  (Modified Grain method)
    Subcooled liquid VP: 0.0259 mm Hg (25 deg C, Mod-Grain method)
                       : 3.45 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  227.4
       log Kow used: 2.60 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  865.28 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.85E-007  atm-m3/mole  (4.91E-002 Pa-m3/mole)
   Group Method:   8.10E-008  atm-m3/mole  (8.21E-003 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:  1.818E-005 atm-m3/mole  (1.842E+000 Pa-m3/mole)
      VP:   0.0148 mm Hg (source: MPBPVP)
      WS:   227 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.60  (KowWin est)
  Log Kaw used:  -4.703  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.303
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1054
   Biowin2 (Non-Linear Model)     :   0.0572
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4373  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4538  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6467
   Biowin6 (MITI Non-Linear Model):   0.5156
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5172
 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):  3.45 Pa (0.0259 mm Hg)
  Log Koa (Koawin est  ): 7.303
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.69E-007 
       Octanol/air (Koa) model:  4.93E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.14E-005 
       Mackay model           :  6.95E-005 
       Octanol/air (Koa) model:  0.000394 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.9524 E-12 cm3/molecule-sec
      Half-Life =     0.335 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.017 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.04E-005 (Junge-Pankow, Mackay avg)
      0.000394 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  98.58  L/kg (MCI method)
      Log Koc:  1.994       (MCI method)
      Koc    :  161.1  L/kg (Kow method)
      Log Koc:  2.207       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.805E-003  L/mol-sec
  Kb Half-Life at pH 8:       7.829  years  
  Kb Half-Life at pH 7:      78.287  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.383 (BCF = 24.14 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7209 days (HL = 0.1902 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.425 (BCF = 26.62)
   Log BAF Arnot-Gobas method (upper trophic) = 1.425 (BAF = 26.62)
       log Kow used: 2.60 (estimated)

 Volatilization from Water:
    Henry LC:  4.85E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1760  hours   (73.35 days)
    Half-Life from Model Lake : 1.933E+004  hours   (805.3 days)

 Removal In Wastewater Treatment:
    Total removal:               3.44  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.31  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.362           8.03         1000       
   Water     24.2            900          1000       
   Soil      75.3            1.8e+003     1000       
   Sediment  0.161           8.1e+003     0          
     Persistence Time: 937 hr