CAS Num: 007403-42-1
SMILES : O=C(CC(c(cccc1)c1)(C)C)C
CHEM   : 2-Pentanone, 4-methyl-4-phenyl-
MOL FOR: C12 H16 O1 
MOL WT : 176.26
------------------------------ 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) =  2.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  246.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  30.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0279  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.72  (Modified Grain method)
    Subcooled liquid VP: 0.0312 mm Hg (25 deg C, Mod-Grain method)
                       : 4.17 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  217.7
       log Kow used: 2.84 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  179.71 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.36E-006  atm-m3/mole  (9.48E-001 Pa-m3/mole)
   Group Method:   1.54E-006  atm-m3/mole  (1.56E-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:  2.972E-005 atm-m3/mole  (3.012E+000 Pa-m3/mole)
      VP:   0.0279 mm Hg (source: MPBPVP)
      WS:   218 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.84  (KowWin est)
  Log Kaw used:  -3.417  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.257
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6146
   Biowin2 (Non-Linear Model)     :   0.5321
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5971  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4227  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4649
   Biowin6 (MITI Non-Linear Model):   0.4398
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3617
 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):  4.16 Pa (0.0312 mm Hg)
  Log Koa (Koawin est  ): 6.257
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.21E-007 
       Octanol/air (Koa) model:  4.44E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.6E-005 
       Mackay model           :  5.77E-005 
       Octanol/air (Koa) model:  3.55E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.5939 E-12 cm3/molecule-sec
      Half-Life =     1.912 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    22.945 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.19E-005 (Junge-Pankow, Mackay avg)
      3.55E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  407.3  L/kg (MCI method)
      Log Koc:  2.610       (MCI method)
      Koc    :  491.6  L/kg (Kow method)
      Log Koc:  2.692       (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 = 1.538 (BCF = 34.48 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5358 days (HL = 0.2912 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.649 (BCF = 44.56)
   Log BAF Arnot-Gobas method (upper trophic) = 1.649 (BAF = 44.56)
       log Kow used: 2.84 (estimated)

 Volatilization from Water:
    Henry LC:  1.54E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      506.1  hours   (21.09 days)
    Half-Life from Model Lake :       5632  hours   (234.7 days)

 Removal In Wastewater Treatment:
    Total removal:               4.62  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.42  percent
    Total to Air:                0.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.17            45.9         1000       
   Water     19              900          1000       
   Soil      79.4            1.8e+003     1000       
   Sediment  0.429           8.1e+003     0          
     Persistence Time: 1.07e+003 hr