CAS Num: 000088-29-9
SMILES : O=C(c(c(cc(c1C(CC2)(C)C)C2(C)C)CC)c1)C
CHEM   : Ethanone, 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphtha
         lenyl)-
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) =  6.42

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  335.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  109.51  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000185  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0247  (Modified Grain method)
    MP  (exp database):  46.5 deg C
    BP  (exp database):  130 @ 2 mm Hg deg C
    Subcooled liquid VP: 0.000291 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0388 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.07008
       log Kow used: 6.42 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.35427 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:   9.96E-006  atm-m3/mole  (1.01E+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:  8.976E-004 atm-m3/mole  (9.095E+001 Pa-m3/mole)
      VP:   0.000185 mm Hg (source: MPBPVP)
      WS:   0.0701 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.42  (KowWin est)
  Log Kaw used:  -2.763  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.183
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3182
   Biowin2 (Non-Linear Model)     :   0.0183
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1066  (months      )
   Biowin4 (Primary Survey Model) :   3.0773  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1990
   Biowin6 (MITI Non-Linear Model):   0.0693
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2544
 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):  0.0388 Pa (0.000291 mm Hg)
  Log Koa (Koawin est  ): 9.183
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.73E-005 
       Octanol/air (Koa) model:  0.000374 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00279 
       Mackay model           :  0.00615 
       Octanol/air (Koa) model:  0.0291 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.3720 E-12 cm3/molecule-sec
      Half-Life =     0.653 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.840 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00447 (Junge-Pankow, Mackay avg)
      0.0291 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9990  L/kg (MCI method)
      Log Koc:  4.000       (MCI method)
      Koc    :  4.697E+004  L/kg (Kow method)
      Log Koc:  4.672       (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 = 3.317 (BCF = 2074 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1033 days (HL = 12.69 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.470 (BCF = 2948)
   Log BAF Arnot-Gobas method (upper trophic) = 4.640 (BAF = 4.363e+004)
       log Kow used: 6.42 (estimated)

 Volatilization from Water:
    Henry LC:  9.96E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      96.14  hours   (4.006 days)
    Half-Life from Model Lake :       1184  hours   (49.31 days)

 Removal In Wastewater Treatment:
    Total removal:              93.31  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.54  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.368           15.7         1000       
   Water     12              1.44e+003    1000       
   Soil      79.5            2.88e+003    1000       
   Sediment  8.08            1.3e+004     0          
     Persistence Time: 1.74e+003 hr