CAS Num: 068140-48-7
SMILES : O=C(c(c(cc(c1C(C2C)C(C)C)C2(C)C)C)c1)C
CHEM   : Ethanone, 1-[2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-ind
         en-5-yl]-
MOL FOR: C18 H26 O1 
MOL WT : 258.41
------------------------------ 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) =  6.31

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  329.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  103.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.83E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00911  (Modified Grain method)
    Subcooled liquid VP: 0.000396 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0528 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0869
       log Kow used: 6.31 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.26215 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.22E-005  atm-m3/mole  (4.28E+000 Pa-m3/mole)
   Group Method:   1.94E-005  atm-m3/mole  (1.97E+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:  2.672E-004 atm-m3/mole  (2.708E+001 Pa-m3/mole)
      VP:   6.83E-005 mm Hg (source: MPBPVP)
      WS:   0.0869 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.31  (KowWin est)
  Log Kaw used:  -2.763  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.073
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5568
   Biowin2 (Non-Linear Model)     :   0.1567
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2438  (months      )
   Biowin4 (Primary Survey Model) :   3.1622  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1411
   Biowin6 (MITI Non-Linear Model):   0.0472
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1379
 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):  0.0528 Pa (0.000396 mm Hg)
  Log Koa (Koawin est  ): 9.073
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.68E-005 
       Octanol/air (Koa) model:  0.00029 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00205 
       Mackay model           :  0.00452 
       Octanol/air (Koa) model:  0.0227 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.5196 E-12 cm3/molecule-sec
      Half-Life =     0.548 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.576 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00329 (Junge-Pankow, Mackay avg)
      0.0227 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9835  L/kg (MCI method)
      Log Koc:  3.993       (MCI method)
      Koc    :  4.083E+004  L/kg (Kow method)
      Log Koc:  4.611       (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 = 3.245 (BCF = 1757 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5070 days (HL = 3.214 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.961 (BCF = 914.3)
   Log BAF Arnot-Gobas method (upper trophic) = 3.258 (BAF = 1811)
       log Kow used: 6.31 (estimated)

 Volatilization from Water:
    Henry LC:  1.94E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      50.15  hours   (2.09 days)
    Half-Life from Model Lake :      681.9  hours   (28.41 days)

 Removal In Wastewater Treatment:
    Total removal:              93.11  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.32  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       0.336           13.2         1000       
   Water     11.6            1.44e+003    1000       
   Soil      80.2            2.88e+003    1000       
   Sediment  7.85            1.3e+004     0          
     Persistence Time: 1.72e+003 hr