CAS Num: 015323-35-0
SMILES : O=C(c(c(cc(c1C(C2C)(C)C)C2(C)C)C)c1)C
CHEM   : Ethanone, 1-(2,3-dihydro-1,1,2,3,3,6-hexamethyl-1H-inden-5-yl)-
MOL FOR: C17 H24 O1 
MOL WT : 244.38
------------------------------ 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) =  5.85

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  317.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  98.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000147  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0195  (Modified Grain method)
    Subcooled liquid VP: 0.000762 mm Hg (25 deg C, Mod-Grain method)
                       : 0.102 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.2545
       log Kow used: 5.85 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.74816 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.18E-005  atm-m3/mole  (3.22E+000 Pa-m3/mole)
   Group Method:   7.73E-006  atm-m3/mole  (7.84E-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:  1.857E-004 atm-m3/mole  (1.882E+001 Pa-m3/mole)
      VP:   0.000147 mm Hg (source: MPBPVP)
      WS:   0.255 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.85  (KowWin est)
  Log Kaw used:  -2.886  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.736
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3248
   Biowin2 (Non-Linear Model)     :   0.0222
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1376  (months      )
   Biowin4 (Primary Survey Model) :   3.0975  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3109
   Biowin6 (MITI Non-Linear Model):   0.0860
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2249
 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):  0.102 Pa (0.000762 mm Hg)
  Log Koa (Koawin est  ): 8.736
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.95E-005 
       Octanol/air (Koa) model:  0.000134 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00107 
       Mackay model           :  0.00236 
       Octanol/air (Koa) model:  0.0106 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.2170 E-12 cm3/molecule-sec
      Half-Life =     0.703 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.435 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00171 (Junge-Pankow, Mackay avg)
      0.0106 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4918  L/kg (MCI method)
      Log Koc:  3.692       (MCI method)
      Koc    :  2.273E+004  L/kg (Kow method)
      Log Koc:  4.357       (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 = 2.944 (BCF = 879.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5807 days (HL = 3.808 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.121 (BCF = 1320)
   Log BAF Arnot-Gobas method (upper trophic) = 3.293 (BAF = 1964)
       log Kow used: 5.85 (estimated)

 Volatilization from Water:
    Henry LC:  7.73E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:        120  hours   (5 days)
    Half-Life from Model Lake :       1440  hours   (60.01 days)

 Removal In Wastewater Treatment:
    Total removal:              91.40  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    90.62  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.402           16.9         1000       
   Water     12.8            1.44e+003    1000       
   Soil      82.3            2.88e+003    1000       
   Sediment  4.51            1.3e+004     0          
     Persistence Time: 1.68e+003 hr