CAS Number: 71477-76-4
SMILES : O(C(CCC1C2C)(C2)C)C1CC=C
CHEM   : 2-Oxabicyclo 2.2.2 octane, 1,5-dimethyl-3-(2-propenyl)-
MOL FOR: C12 H20 O1 
MOL WT : 180.29
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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 v1.68 estimate) =  3.94
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  217.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  17.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.222  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  29.6  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  23.55
       log Kow used: 3.94 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  39.933 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.67E-004  atm-m3/mole  (2.71E+001 Pa-m3/mole)
   Group Method:   1.54E-004  atm-m3/mole  (1.56E+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:  2.236E-003 atm-m3/mole  (2.266E+002 Pa-m3/mole)
      VP:   0.222 mm Hg (source: MPBPVP)
      WS:   23.6 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.94  (KowWin est)
  Log Kaw used:  -1.962  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.902
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1304
   Biowin2 (Non-Linear Model)     :   0.0090
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5800  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4244  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4102
   Biowin6 (MITI Non-Linear Model):   0.1806
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3508
 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):  27.6 Pa (0.207 mm Hg)
  Log Koa (Koawin est  ): 5.902
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.09E-007 
       Octanol/air (Koa) model:  1.96E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.93E-006 
       Mackay model           :  8.7E-006 
       Octanol/air (Koa) model:  1.57E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  61.9957 E-12 cm3/molecule-sec
      Half-Life =     0.173 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.070 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      6.31E-006 (Junge-Pankow, Mackay avg)
      1.57E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  854  L/kg (MCI method)
      Log Koc:  2.931       (MCI method)
      Koc    :  1032  L/kg (Kow method)
      Log Koc:  3.014       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.269 (BCF = 185.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6760 days (HL = 4.742 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.797 (BCF = 626.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.801 (BAF = 632.5)
       log Kow used: 3.94 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000267 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.314  hours
    Half-Life from Model Lake :      159.7  hours   (6.652 days)
 
 Removal In Wastewater Treatment:
    Total removal:              34.34  percent
    Total biodegradation:        0.28  percent
    Total sludge adsorption:    25.93  percent
    Total to Air:                8.13  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.291           3.51         1000       
   Water     13              900          1000       
   Soil      86.1            1.8e+003     1000       
   Sediment  0.614           8.1e+003     0          
     Persistence Time: 857 hr