CAS Num: 013567-39-0
SMILES : O(C1(C(CC(C2CC3)(C3C)C4)C2(C)C)C)C14
CHEM   : 2H-2a,7-Methanoazuleno 5,6-b oxirene, octahydro-3,6,6,7a-tetramethyl-
         ,  1aS-(1a.alpha.,2a.beta.,3.alpha.,5a.alpha.,7.b
MOL FOR: C15 H24 O1 
MOL WT : 220.36
------------------------------ 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) =  4.35

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  251.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  60.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0182  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.42  (Modified Grain method)
    Subcooled liquid VP: 0.0392 mm Hg (25 deg C, Mod-Grain method)
                       : 5.22 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.632
       log Kow used: 4.35 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.5845 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Epoxides, mono

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.10E-004  atm-m3/mole  (4.15E+001 Pa-m3/mole)
   Group Method:   3.15E-005  atm-m3/mole  (3.19E+000 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:  7.957E-004 atm-m3/mole  (8.062E+001 Pa-m3/mole)
      VP:   0.0182 mm Hg (source: MPBPVP)
      WS:   6.63 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.35  (KowWin est)
  Log Kaw used:  -1.776  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.126
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2565
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0672  (months      )
   Biowin4 (Primary Survey Model) :   3.0598  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3912
   Biowin6 (MITI Non-Linear Model):   0.0962
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0644
 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):  5.23 Pa (0.0392 mm Hg)
  Log Koa (Koawin est  ): 6.126
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.74E-007 
       Octanol/air (Koa) model:  3.28E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.07E-005 
       Mackay model           :  4.59E-005 
       Octanol/air (Koa) model:  2.62E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.0544 E-12 cm3/molecule-sec
      Half-Life =     0.666 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.995 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.33E-005 (Junge-Pankow, Mackay avg)
      2.62E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3906  L/kg (MCI method)
      Log Koc:  3.592       (MCI method)
      Koc    :  1740  L/kg (Kow method)
      Log Koc:  3.241       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  6.615E-002  L/mol-sec
  Ka Half-Life at pH 7:       3.320  years  
    (Total Ka applies to epoxide(s) only)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.536 (BCF = 343.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5943 days (HL = 3.929 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.978 (BCF = 951)
   Log BAF Arnot-Gobas method (upper trophic) = 2.985 (BAF = 966.7)
       log Kow used: 4.35 (estimated)

 Volatilization from Water:
    Henry LC:  0.00041 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.635  hours
    Half-Life from Model Lake :      164.1  hours   (6.838 days)

 Removal In Wastewater Treatment:
    Total removal:              53.76  percent
    Total biodegradation:        0.42  percent
    Total sludge adsorption:    45.27  percent
    Total to Air:                8.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.692           16           1000       
   Water     7.76            1.44e+003    1000       
   Soil      89.3            2.88e+003    1000       
   Sediment  2.21            1.3e+004     0          
     Persistence Time: 1.43e+003 hr