CAS Num: 010599-70-9
SMILES : o1c(C)c(C(=O)C)cc1C
CHEM   : 
MOL FOR: C8 H10 O2 
MOL WT : 138.17
------------------------------ 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) =  2.14

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  195.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  18.88  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.46  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  61.3  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1273
       log Kow used: 2.14 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6874.4 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.19E-005  atm-m3/mole  (1.21E+000 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  6.569E-005 atm-m3/mole  (6.657E+000 Pa-m3/mole)
      VP:   0.46 mm Hg (source: MPBPVP)
      WS:   1.27E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.14  (KowWin est)
  Log Kaw used:  -3.313  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.453
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7979
   Biowin2 (Non-Linear Model)     :   0.8517
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7217  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4891  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5104
   Biowin6 (MITI Non-Linear Model):   0.5310
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4744
 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):  55.9 Pa (0.419 mm Hg)
  Log Koa (Koawin est  ): 5.453
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.37E-008 
       Octanol/air (Koa) model:  6.97E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.94E-006 
       Mackay model           :  4.3E-006 
       Octanol/air (Koa) model:  5.57E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  55.0045 E-12 cm3/molecule-sec
      Half-Life =     0.194 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.333 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      3.12E-006 (Junge-Pankow, Mackay avg)
      5.57E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  74.73  L/kg (MCI method)
      Log Koc:  1.873       (MCI method)
      Koc    :  201.6  L/kg (Kow method)
      Log Koc:  2.304       (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 = 0.492 (BCF = 3.108 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0782 days (HL = 0.08353 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.977 (BCF = 9.483)
   Log BAF Arnot-Gobas method (upper trophic) = 0.977 (BAF = 9.483)
       log Kow used: 2.14 (estimated)

 Volatilization from Water:
    Henry LC:  1.19E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      59.03  hours   (2.46 days)
    Half-Life from Model Lake :      742.6  hours   (30.94 days)

 Removal In Wastewater Treatment:
    Total removal:               3.04  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.29  percent
    Total to Air:                0.66  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.294           4.67         1000       
   Water     26.1            900          1000       
   Soil      73.4            1.8e+003     1000       
   Sediment  0.143           8.1e+003     0          
     Persistence Time: 825 hr