CAS Num: 013794-73-5
SMILES : O=C(C(C(CC1(C2CC3)C3C)C2(C)C)C)C1
CHEM   : 1H-3a,7-Methanoazulen-5(4H)-one, hexahydro-3,6,8,8-tetramethyl-,  3R-
         (3.alpha.,3a.beta.,6.alpha.,7.beta.,8a.alpha.) -
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) =  4.48

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  286.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  74.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00244  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.325  (Modified Grain method)
    Subcooled liquid VP: 0.00711 mm Hg (25 deg C, Mod-Grain method)
                       : 0.949 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.088
       log Kow used: 4.48 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.9129 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.27E-004  atm-m3/mole  (1.29E+001 Pa-m3/mole)
   Group Method:   1.47E-005  atm-m3/mole  (1.49E+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:  1.390E-004 atm-m3/mole  (1.409E+001 Pa-m3/mole)
      VP:   0.00244 mm Hg (source: MPBPVP)
      WS:   5.09 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.48  (KowWin est)
  Log Kaw used:  -2.285  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.765
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2816
   Biowin2 (Non-Linear Model)     :   0.0176
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2655  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2007  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4399
   Biowin6 (MITI Non-Linear Model):   0.1547
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8648
 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):  0.948 Pa (0.00711 mm Hg)
  Log Koa (Koawin est  ): 6.765
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.16E-006 
       Octanol/air (Koa) model:  1.43E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000114 
       Mackay model           :  0.000253 
       Octanol/air (Koa) model:  0.000114 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.0795 E-12 cm3/molecule-sec
      Half-Life =     0.626 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.515 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000184 (Junge-Pankow, Mackay avg)
      0.000114 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2114  L/kg (MCI method)
      Log Koc:  3.325       (MCI method)
      Koc    :  3969  L/kg (Kow method)
      Log Koc:  3.599       (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 v3.00):
   Log BCF from regression-based method = 2.625 (BCF = 421.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5622 days (HL = 3.649 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.006 (BCF = 1014)
   Log BAF Arnot-Gobas method (upper trophic) = 3.014 (BAF = 1034)
       log Kow used: 4.48 (estimated)

 Volatilization from Water:
    Henry LC:  1.47E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      60.64  hours   (2.527 days)
    Half-Life from Model Lake :        786  hours   (32.75 days)

 Removal In Wastewater Treatment:
    Total removal:              55.20  percent
    Total biodegradation:        0.51  percent
    Total sludge adsorption:    54.34  percent
    Total to Air:                0.35  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.6             15           1000       
   Water     16.7            900          1000       
   Soil      80.7            1.8e+003     1000       
   Sediment  2               8.1e+003     0          
     Persistence Time: 1.06e+003 hr