CAS Num: 007492-41-3
SMILES : C1(C)(C)C2(CCC1CC2OC(=O))C
CHEM   : 
MOL FOR: C11 H18 O2 
MOL WT : 182.26
------------------------------ 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) =  3.31

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  208.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  29.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.199  (Modified Grain method)
    VP (Pa, 25 deg C) :  26.5  (Modified Grain method)
    Subcooled liquid VP: 0.216 mm Hg (25 deg C, Mod-Grain method)
                       : 28.8 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  80.06
       log Kow used: 3.31 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  82.719 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.98E-004  atm-m3/mole  (6.06E+001 Pa-m3/mole)
   Group Method:   1.65E-004  atm-m3/mole  (1.68E+001 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:  5.961E-004 atm-m3/mole  (6.040E+001 Pa-m3/mole)
      VP:   0.199 mm Hg (source: MPBPVP)
      WS:   80.1 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.31  (KowWin est)
  Log Kaw used:  -1.612  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.922
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4671
   Biowin2 (Non-Linear Model)     :   0.7415
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5124  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5069  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7342
   Biowin6 (MITI Non-Linear Model):   0.7344
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1804
 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):  28.8 Pa (0.216 mm Hg)
  Log Koa (Koawin est  ): 4.922
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.04E-007 
       Octanol/air (Koa) model:  2.05E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.76E-006 
       Mackay model           :  8.33E-006 
       Octanol/air (Koa) model:  1.64E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.6991 E-12 cm3/molecule-sec
      Half-Life =     1.389 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.671 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.05E-006 (Junge-Pankow, Mackay avg)
      1.64E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  276.4  L/kg (MCI method)
      Log Koc:  2.442       (MCI method)
      Koc    :  490.2  L/kg (Kow method)
      Log Koc:  2.690       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.171E+001  L/mol-sec
  Kb Half-Life at pH 8:      16.436  hours  
  Kb Half-Life at pH 7:       6.848  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.851 (BCF = 70.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6477 days (HL = 0.225 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.815 (BCF = 65.36)
   Log BAF Arnot-Gobas method (upper trophic) = 1.815 (BAF = 65.36)
       log Kow used: 3.31 (estimated)

 Volatilization from Water:
    Henry LC:  0.000165 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      6.168  hours
    Half-Life from Model Lake :      180.5  hours   (7.52 days)

 Removal In Wastewater Treatment:
    Total removal:              15.93  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     8.88  percent
    Total to Air:                6.90  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.17            33.3         1000       
   Water     16.6            900          1000       
   Soil      81              1.8e+003     1000       
   Sediment  0.26            8.1e+003     0          
     Persistence Time: 785 hr