CAS Num: 001506-02-1
SMILES : O=C(c(c(cc(c1C(CC2C)(C)C)C2(C)C)C)c1)C
CHEM   : Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl
         )-
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) =  6.35
    Log Kow (Exper. database match) =  5.70
       Exper. Ref:  BALK,F & FORD,RA (1999)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  331.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  106.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000189  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0252  (Modified Grain method)
    MP  (exp database):  54.5 deg C
    VP  (exp database):  5.12E-04 mm Hg (6.83E-002 Pa) at 0 deg C
    Subcooled liquid VP: 0.000354 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0471 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.2879
       log Kow used: 5.70 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.25 mg/L ( deg C)
        Exper. Ref:  BALK,F & FORD,RA (1999)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.36931 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:   1.09E-005  atm-m3/mole  (1.11E+000 Pa-m3/mole)
   Exper Database: 1.39E-04  atm-m3/mole  (1.41E+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:  2.232E-004 atm-m3/mole  (2.262E+001 Pa-m3/mole)
      VP:   0.000189 mm Hg (source: MPBPVP)
      WS:   0.288 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.70  (exp database)
  Log Kaw used:  -2.245  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.945
      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)    :   0.2889
   Biowin6 (MITI Non-Linear Model):   0.0737
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.3449
 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):  0.0472 Pa (0.000354 mm Hg)
  Log Koa (Koawin est  ): 7.945
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.36E-005 
       Octanol/air (Koa) model:  2.16E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00229 
       Mackay model           :  0.00506 
       Octanol/air (Koa) model:  0.00173 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.6867 E-12 cm3/molecule-sec
      Half-Life =     0.605 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.257 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00367 (Junge-Pankow, Mackay avg)
      0.00173 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8678  L/kg (MCI method)
      Log Koc:  3.938       (MCI method)
      Koc    :  1.877E+004  L/kg (Kow method)
      Log Koc:  4.274       (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 = 2.843 (BCF = 696.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0482 days (HL = 11.17 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.544 (BCF = 3496)
   Log BAF Arnot-Gobas method (upper trophic) = 4.058 (BAF = 1.142e+004)
       log Kow used: 5.70 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000139 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      8.411  hours
    Half-Life from Model Lake :      226.6  hours   (9.44 days)

 Removal In Wastewater Treatment:
    Total removal:              90.40  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    89.37  percent
    Total to Air:                0.27  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.494           14.5         1000       
   Water     8.78            1.44e+003    1000       
   Soil      85.1            2.88e+003    1000       
   Sediment  5.63            1.3e+004     0          
     Persistence Time: 1.6e+003 hr