CAS Number: 25915-53-1
SMILES : O=C(C(C(CC=C1)(C)C)C1C)C
CHEM   : Ethanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-
MOL FOR: C11 H18 O1 
MOL WT : 166.27
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  3.11
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  213.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.265  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  35.3  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  141.9
       log Kow used: 3.11 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  352.51 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.85E-004  atm-m3/mole  (1.88E+001 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  4.086E-004 atm-m3/mole  (4.140E+001 Pa-m3/mole)
      VP:   0.265 mm Hg (source: MPBPVP)
      WS:   142 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.11  (KowWin est)
  Log Kaw used:  -2.121  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.231
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4913
   Biowin2 (Non-Linear Model)     :   0.1782
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5971  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4322  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4615
   Biowin6 (MITI Non-Linear Model):   0.2830
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3965
 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):  32.8 Pa (0.246 mm Hg)
  Log Koa (Koawin est  ): 5.231
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.15E-008 
       Octanol/air (Koa) model:  4.18E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.3E-006 
       Mackay model           :  7.32E-006 
       Octanol/air (Koa) model:  3.34E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  67.9199 E-12 cm3/molecule-sec
      Half-Life =     0.157 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.890 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec
      Half-Life =     0.057 Days (at 7E11 mol/cm3)
      Half-Life =      1.375 Hrs
   Fraction sorbed to airborne particulates (phi):
      5.31E-006 (Junge-Pankow, Mackay avg)
      3.34E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  204.9  L/kg (MCI method)
      Log Koc:  2.311       (MCI method)
      Koc    :  693.3  L/kg (Kow method)
      Log Koc:  2.841       (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 v3.01):
   Log BCF from regression-based method = 1.718 (BCF = 52.22 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1870 days (HL = 0.6501 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.955 (BCF = 90.23)
   Log BAF Arnot-Gobas method (upper trophic) = 1.955 (BAF = 90.23)
       log Kow used: 3.11 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000185 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      5.397  hours
    Half-Life from Model Lake :        167  hours   (6.958 days)
 
 Removal In Wastewater Treatment:
    Total removal:              14.27  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     6.31  percent
    Total to Air:                7.83  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.115           1.01         1000       
   Water     18.2            900          1000       
   Soil      81.5            1.8e+003     1000       
   Sediment  0.218           8.1e+003     0          
     Persistence Time: 697 hr