CAS Number: 18594-05-3
SMILES : c(cc(c1)C(CCC2)CC2)c(c1)C(=O)C
CHEM   : ETHANONE, 1-(4-CYCLOHEXYLPHENYL)-
MOL FOR: C14 H18 O1 
MOL WT : 202.30
------------------------------ 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) =  4.49
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  302.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  66.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000701  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0934  (Modified Grain method)
    Subcooled liquid VP: 0.00173 mm Hg (25 deg C, Mod-Grain method)
                       : 0.23 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  6.228
       log Kow used: 4.49 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  42.487 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.97E-005  atm-m3/mole  (1.99E+000 Pa-m3/mole)
   Group Method:   8.10E-006  atm-m3/mole  (8.21E-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:  2.996E-005 atm-m3/mole  (3.036E+000 Pa-m3/mole)
      VP:   0.000701 mm Hg (source: MPBPVP)
      WS:   6.23 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.49  (KowWin est)
  Log Kaw used:  -3.094  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.584
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7127
   Biowin2 (Non-Linear Model)     :   0.5647
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6548  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4651  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3502
   Biowin6 (MITI Non-Linear Model):   0.3691
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6985
 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):  0.231 Pa (0.00173 mm Hg)
  Log Koa (Koawin est  ): 7.584
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.3E-005 
       Octanol/air (Koa) model:  9.42E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00047 
       Mackay model           :  0.00104 
       Octanol/air (Koa) model:  0.000753 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.3192 E-12 cm3/molecule-sec
      Half-Life =     0.747 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.964 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000754 (Junge-Pankow, Mackay avg)
      0.000753 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1824  L/kg (MCI method)
      Log Koc:  3.261       (MCI method)
      Koc    :  4020  L/kg (Kow method)
      Log Koc:  3.604       (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 = 2.045 (BCF = 110.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2235 days (HL = 1.673 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.759 (BCF = 573.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.761 (BAF = 576.4)
       log Kow used: 4.49 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.1E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      104.3  hours   (4.344 days)
    Half-Life from Model Lake :       1257  hours   (52.36 days)
 
 Removal In Wastewater Treatment:
    Total removal:              55.62  percent
    Total biodegradation:        0.52  percent
    Total sludge adsorption:    54.92  percent
    Total to Air:                0.19  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.663           17.9         1000       
   Water     17.3            900          1000       
   Soil      80.3            1.8e+003     1000       
   Sediment  1.77            8.1e+003     0          
     Persistence Time: 1.06e+003 hr