CAS Num: 000093-55-0
SMILES : O=C(c(cccc1)c1)CC
CHEM   : 1-Propanone, 1-phenyl-
MOL FOR: C9 H10 O1 
MOL WT : 134.18
------------------------------ 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) =  2.16
    Log Kow (Exper. database match) =  2.19
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  209.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  1.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.149  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  19.9  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  18.6 deg C
    BP  (exp database):  217.5 deg C
    VP  (exp database):  1.70E-01 mm Hg (2.27E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1193
       log Kow used: 2.19 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2000 mg/L (20 deg C)
        Exper. Ref:  PAPA,AJ & SHERMAN,PDJR (1981)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1994 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.30E-005  atm-m3/mole  (1.32E+000 Pa-m3/mole)
   Group Method:   1.54E-005  atm-m3/mole  (1.56E+000 Pa-m3/mole)
   Exper Database: 1.50E-05  atm-m3/mole  (1.52E+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:  2.205E-005 atm-m3/mole  (2.234E+000 Pa-m3/mole)
      VP:   0.149 mm Hg (source: MPBPVP)
      WS:   1.19E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.19  (exp database)
  Log Kaw used:  -3.212  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.402
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8186
   Biowin2 (Non-Linear Model)     :   0.9205
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9022  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6368  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5216
   Biowin6 (MITI Non-Linear Model):   0.6307
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1316
 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):  22.7 Pa (0.17 mm Hg)
  Log Koa (Koawin est  ): 5.402
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.32E-007 
       Octanol/air (Koa) model:  6.19E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.78E-006 
       Mackay model           :  1.06E-005 
       Octanol/air (Koa) model:  4.96E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.0084 E-12 cm3/molecule-sec
      Half-Life =     3.555 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    42.665 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.68E-006 (Junge-Pankow, Mackay avg)
      4.96E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  98.9  L/kg (MCI method)
      Log Koc:  1.995       (MCI method)
      Koc    :  214.8  L/kg (Kow method)
      Log Koc:  2.332       (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 = 0.527 (BCF = 3.364 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8179 days (HL = 0.1521 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.099 (BCF = 12.57)
   Log BAF Arnot-Gobas method (upper trophic) = 1.099 (BAF = 12.57)
       log Kow used: 2.19 (expkow database)

 Volatilization from Water:
    Henry LC:  1.5E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       46.4  hours   (1.933 days)
    Half-Life from Model Lake :      603.3  hours   (25.14 days)

 Removal In Wastewater Treatment:
    Total removal:               3.27  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.35  percent
    Total to Air:                0.82  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.32            85.3         1000       
   Water     27              360          1000       
   Soil      68.5            720          1000       
   Sediment  0.157           3.24e+003    0          
     Persistence Time: 448 hr