CAS Number: 94400-98-3
SMILES : CC1CC(C2=C(C1(C)C)CC3(C(C2)O3)C)(C)C
CHEM   : (1aR,4S,7aS)-1a,3,3,4,6,6-hexamethyl-4,5,7,7a-tetrahydro-2H-naphtho[2
         ,3-b]oxirene
MOL FOR: C16 H26 O1 
MOL WT : 234.39
------------------------------ EPI SUMMARY (v4.00) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  5.68
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  273.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  74.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0047  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.626  (Modified Grain method)
    Subcooled liquid VP: 0.0137 mm Hg (25 deg C, Mod-Grain method)
                       : 1.83 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.4062
       log Kow used: 5.68 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.853 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Epoxides, mono
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.51E-003  atm-m3/mole  (1.53E+002 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:  3.568E-003 atm-m3/mole  (3.616E+002 Pa-m3/mole)
      VP:   0.0047 mm Hg (source: MPBPVP)
      WS:   0.406 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.68  (KowWin est)
  Log Kaw used:  -1.209  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.889
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2632
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0362  (months      )
   Biowin4 (Primary Survey Model) :   3.0395  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3057
   Biowin6 (MITI Non-Linear Model):   0.0702
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1824
 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):  1.83 Pa (0.0137 mm Hg)
  Log Koa (Koawin est  ): 6.889
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.64E-006 
       Octanol/air (Koa) model:  1.9E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.93E-005 
       Mackay model           :  0.000131 
       Octanol/air (Koa) model:  0.000152 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 117.9164 E-12 cm3/molecule-sec
      Half-Life =     0.091 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.088 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi):
      9.53E-005 (Junge-Pankow, Mackay avg)
      0.000152 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5311  L/kg (MCI method)
      Log Koc:  3.725       (MCI method)
      Koc    :  9468  L/kg (Kow method)
      Log Koc:  3.976       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  9.833E-001  L/mol-sec
  Ka Half-Life at pH 7:      81.583  days   
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.415 (BCF = 2599 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1214 days (HL = 13.22 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.602 (BCF = 4000)
   Log BAF Arnot-Gobas method (upper trophic) = 4.186 (BAF = 1.533e+004)
       log Kow used: 5.68 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00151 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.156  hours
    Half-Life from Model Lake :      151.9  hours   (6.329 days)
 
 Removal In Wastewater Treatment:
    Total removal:              90.70  percent
    Total biodegradation:        0.73  percent
    Total sludge adsorption:    87.64  percent
    Total to Air:                2.33  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0889          1.37         1000       
   Water     7.32            1.44e+003    1000       
   Soil      89.8            2.88e+003    1000       
   Sediment  2.82            1.3e+004     0          
     Persistence Time: 1.28e+003 hr