CAS Num: 029461-13-0
SMILES : C1C23CCC1C(C)(C)C2C(=O)CCC3(C)C
CHEM   : 2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-, 
         (2a,4aa,8 )-
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) =  3.81

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  282.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  79.51  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00259  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.346  (Modified Grain method)
    Subcooled liquid VP: 0.00857 mm Hg (25 deg C, Mod-Grain method)
                       : 1.14 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  18.94
       log Kow used: 3.81 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.3302 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:   1.23E-005  atm-m3/mole  (1.24E+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:  3.965E-005 atm-m3/mole  (4.017E+000 Pa-m3/mole)
      VP:   0.00259 mm Hg (source: MPBPVP)
      WS:   18.9 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.81  (KowWin est)
  Log Kaw used:  -2.285  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.095
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0977
   Biowin2 (Non-Linear Model)     :   0.0032
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0534  (months      )
   Biowin4 (Primary Survey Model) :   3.0473  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5023
   Biowin6 (MITI Non-Linear Model):   0.3092
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.3980
 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):  1.14 Pa (0.00857 mm Hg)
  Log Koa (Koawin est  ): 6.095
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.63E-006 
       Octanol/air (Koa) model:  3.05E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.48E-005 
       Mackay model           :  0.00021 
       Octanol/air (Koa) model:  2.44E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.2861 E-12 cm3/molecule-sec
      Half-Life =     0.948 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.373 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000152 (Junge-Pankow, Mackay avg)
      2.44E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1917  L/kg (MCI method)
      Log Koc:  3.283       (MCI method)
      Koc    :  1691  L/kg (Kow method)
      Log Koc:  3.228       (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 = 2.184 (BCF = 152.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1294 days (HL = 1.347 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.492 (BCF = 310.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.492 (BAF = 310.7)
       log Kow used: 3.81 (estimated)

 Volatilization from Water:
    Henry LC:  1.23E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      72.18  hours   (3.007 days)
    Half-Life from Model Lake :      911.8  hours   (37.99 days)

 Removal In Wastewater Treatment:
    Total removal:              22.67  percent
    Total biodegradation:        0.26  percent
    Total sludge adsorption:    21.88  percent
    Total to Air:                0.53  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.549           22.7         1000       
   Water     13.4            1.44e+003    1000       
   Soil      84.3            2.88e+003    1000       
   Sediment  1.77            1.3e+004     0          
     Persistence Time: 1.6e+003 hr