CAS Number: 5286-38-4
SMILES : O=C(C(O1)C1(CC2)C)C2C(C)C
CHEM   : 7-Oxabicyclo 4.1.0 heptan-2-one, 6-methyl-3-(1-methylethyl)-
MOL FOR: C10 H16 O2 
MOL WT : 168.24
------------------------------ 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) =  2.89
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  226.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  32.89  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.113  (Modified Grain method)
    VP (Pa, 25 deg C) :  15.1  (Modified Grain method)
    Subcooled liquid VP: 0.133 mm Hg (25 deg C, Mod-Grain method)
                       : 17.7 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  213.5
       log Kow used: 2.89 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10423 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Epoxides, mono
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.38E-006  atm-m3/mole  (1.40E-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:  1.172E-004 atm-m3/mole  (1.187E+001 Pa-m3/mole)
      VP:   0.113 mm Hg (source: MPBPVP)
      WS:   214 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.89  (KowWin est)
  Log Kaw used:  -4.249  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.139
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1430
   Biowin2 (Non-Linear Model)     :   0.0068
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5841  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4196  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4134
   Biowin6 (MITI Non-Linear Model):   0.2625
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7130
 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):  17.7 Pa (0.133 mm Hg)
  Log Koa (Koawin est  ): 7.139
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.69E-007 
       Octanol/air (Koa) model:  3.38E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.11E-006 
       Mackay model           :  1.35E-005 
       Octanol/air (Koa) model:  0.00027 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.7004 E-12 cm3/molecule-sec
      Half-Life =     0.543 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.515 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.82E-006 (Junge-Pankow, Mackay avg)
      0.00027 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  30.86  L/kg (MCI method)
      Log Koc:  1.489       (MCI method)
      Koc    :  425.2  L/kg (Kow method)
      Log Koc:  2.629       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  2.154E-005  L/mol-sec
  Ka Half-Life at pH 7: 1.020E+004  years  
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.574 (BCF = 37.46 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1726 days (HL = 0.672 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.802 (BCF = 63.35)
   Log BAF Arnot-Gobas method (upper trophic) = 1.802 (BAF = 63.35)
       log Kow used: 2.89 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.38E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      551.6  hours   (22.98 days)
    Half-Life from Model Lake :       6126  hours   (255.3 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.93  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.74  percent
    Total to Air:                0.08  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.718           13           1000       
   Water     33.4            900          1000       
   Soil      65.8            1.8e+003     1000       
   Sediment  0.113           8.1e+003     0          
     Persistence Time: 771 hr