CAS Num: 001901-26-4
SMILES : O=C(C(=Cc(cccc1)c1)C)C
CHEM   : 3-Buten-2-one, 3-methyl-4-phenyl-
MOL FOR: C11 H12 O1 
MOL WT : 160.22
------------------------------ 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) =  2.58

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  247.47  (Adapted Stein & Brown method)
    Melting Pt (deg C):  14.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0312  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.15  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  423.6
       log Kow used: 2.58 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  94.027 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.83E-006  atm-m3/mole  (1.86E-001 Pa-m3/mole)
   Group Method:   1.51E-006  atm-m3/mole  (1.53E-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:  1.553E-005 atm-m3/mole  (1.573E+000 Pa-m3/mole)
      VP:   0.0312 mm Hg (source: MPBPVP)
      WS:   424 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.58  (KowWin est)
  Log Kaw used:  -4.126  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.706
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8062
   Biowin2 (Non-Linear Model)     :   0.8889
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8446  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5993  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4013
   Biowin6 (MITI Non-Linear Model):   0.3548
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0474
 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):  4.04 Pa (0.0303 mm Hg)
  Log Koa (Koawin est  ): 6.706
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.43E-007 
       Octanol/air (Koa) model:  1.25E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.68E-005 
       Mackay model           :  5.94E-005 
       Octanol/air (Koa) model:  9.98E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  80.2812 E-12 cm3/molecule-sec
      Half-Life =     0.133 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.599 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    36.855000 E-17 cm3/molecule-sec
      Half-Life =     0.031 Days (at 7E11 mol/cm3)
      Half-Life =     44.777 Min
   Fraction sorbed to airborne particulates (phi):
      4.31E-005 (Junge-Pankow, Mackay avg)
      9.98E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  276.3  L/kg (MCI method)
      Log Koc:  2.441       (MCI method)
      Koc    :  353  L/kg (Kow method)
      Log Koc:  2.548       (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 = 1.372 (BCF = 23.57 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4435 days (HL = 0.3601 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.500 (BCF = 31.64)
   Log BAF Arnot-Gobas method (upper trophic) = 1.500 (BAF = 31.64)
       log Kow used: 2.58 (estimated)

 Volatilization from Water:
    Henry LC:  1.51E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      492.1  hours   (20.5 days)
    Half-Life from Model Lake :       5474  hours   (228.1 days)

 Removal In Wastewater Treatment:
    Total removal:               3.43  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.24  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       0.0647          0.605        1000       
   Water     26              360          1000       
   Soil      73.6            720          1000       
   Sediment  0.318           3.24e+003    0          
     Persistence Time: 451 hr