CAS Num: 000577-16-2
SMILES : c(ccc1C(=O)C)cc1C
CHEM   : ETHANONE, 1-(2-METHYLPHENYL)-
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) =  2.22

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  209.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  7.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.178  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  23.7  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  214 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1123
       log Kow used: 2.22 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2048.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.08E-005  atm-m3/mole  (1.10E+000 Pa-m3/mole)
   Group Method:   1.17E-005  atm-m3/mole  (1.19E+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:  2.798E-005 atm-m3/mole  (2.836E+000 Pa-m3/mole)
      VP:   0.178 mm Hg (source: MPBPVP)
      WS:   1.12E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.22  (KowWin est)
  Log Kaw used:  -3.355  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.575
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7452
   Biowin2 (Non-Linear Model)     :   0.7734
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8053  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5634  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5054
   Biowin6 (MITI Non-Linear Model):   0.5727
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3889
 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 Pa (0.165 mm Hg)
  Log Koa (Koawin est  ): 5.575
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.36E-007 
       Octanol/air (Koa) model:  9.23E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.93E-006 
       Mackay model           :  1.09E-005 
       Octanol/air (Koa) model:  7.38E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.8782 E-12 cm3/molecule-sec
      Half-Life =     2.193 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    26.311 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.92E-006 (Junge-Pankow, Mackay avg)
      7.38E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  84.88  L/kg (MCI method)
      Log Koc:  1.929       (MCI method)
      Koc    :  223.2  L/kg (Kow method)
      Log Koc:  2.349       (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 = 0.547 (BCF = 3.526 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4048 days (HL = 0.3937 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.207 (BCF = 16.1)
   Log BAF Arnot-Gobas method (upper trophic) = 1.207 (BAF = 16.1)
       log Kow used: 2.22 (estimated)

 Volatilization from Water:
    Henry LC:  1.17E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      59.15  hours   (2.464 days)
    Half-Life from Model Lake :      742.4  hours   (30.93 days)

 Removal In Wastewater Treatment:
    Total removal:               3.14  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.40  percent
    Total to Air:                0.65  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.41            52.6         1000       
   Water     27.8            360          1000       
   Soil      68.6            720          1000       
   Sediment  0.146           3.24e+003    0          
     Persistence Time: 442 hr