CAS Num: 000495-40-9
SMILES : O=C(c(cccc1)c1)CCC
CHEM   : 1-Butanone, 1-phenyl-
MOL FOR: C10 H12 O1 
MOL WT : 148.21
------------------------------ 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) =  2.66
    Log Kow (Exper. database match) =  2.77
       Exper. Ref:  SANGSTER (1993)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  228.74  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0845  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  11.3  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  12 deg C
    BP  (exp database):  228.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  332.9
       log Kow used: 2.77 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  639.55 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.73E-005  atm-m3/mole  (1.75E+000 Pa-m3/mole)
   Group Method:   2.18E-005  atm-m3/mole  (2.21E+000 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:  4.950E-005 atm-m3/mole  (5.016E+000 Pa-m3/mole)
      VP:   0.0845 mm Hg (source: MPBPVP)
      WS:   333 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.77  (exp database)
  Log Kaw used:  -3.150  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.920
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8119
   Biowin2 (Non-Linear Model)     :   0.9047
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8712  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6166  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5293
   Biowin6 (MITI Non-Linear Model):   0.6364
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1576
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  10.6 Pa (0.0795 mm Hg)
  Log Koa (Koawin est  ): 5.920
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.83E-007 
       Octanol/air (Koa) model:  2.04E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.02E-005 
       Mackay model           :  2.26E-005 
       Octanol/air (Koa) model:  1.63E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.4490 E-12 cm3/molecule-sec
      Half-Life =     1.659 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.903 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.64E-005 (Junge-Pankow, Mackay avg)
      1.63E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  180.2  L/kg (MCI method)
      Log Koc:  2.256       (MCI method)
      Koc    :  449.6  L/kg (Kow method)
      Log Koc:  2.653       (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 = 0.910 (BCF = 8.12 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6514 days (HL = 0.2232 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.561 (BCF = 36.41)
   Log BAF Arnot-Gobas method (upper trophic) = 1.561 (BAF = 36.41)
       log Kow used: 2.77 (expkow database)

 Volatilization from Water:
    Henry LC:  2.18E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      33.94  hours   (1.414 days)
    Half-Life from Model Lake :      472.3  hours   (19.68 days)

 Removal In Wastewater Treatment:
    Total removal:               5.28  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.01  percent
    Total to Air:                1.16  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.92            39.8         1000       
   Water     25.4            360          1000       
   Soil      71.4            720          1000       
   Sediment  0.224           3.24e+003    0          
     Persistence Time: 448 hr