CAS Num: 042348-12-9
SMILES : O=C(C(O)=C(C1C)CC)C1
CHEM   : 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-
MOL FOR: C8 H12 O2 
MOL WT : 140.18
------------------------------ 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) =  2.20

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  270.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  58.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000421  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0561  (Modified Grain method)
    Subcooled liquid VP: 0.000861 mm Hg (25 deg C, Mod-Grain method)
                       : 0.115 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1112
       log Kow used: 2.20 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  27.746 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.17E-005  atm-m3/mole  (6.25E+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:  6.983E-008 atm-m3/mole  (7.076E-003 Pa-m3/mole)
      VP:   0.000421 mm Hg (source: MPBPVP)
      WS:   1.11E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.20  (KowWin est)
  Log Kaw used:  -2.598  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.798
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8464
   Biowin2 (Non-Linear Model)     :   0.8433
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0269  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7527  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6564
   Biowin6 (MITI Non-Linear Model):   0.7092
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3632
 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):  0.115 Pa (0.000861 mm Hg)
  Log Koa (Koawin est  ): 4.798
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.61E-005 
       Octanol/air (Koa) model:  1.54E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000943 
       Mackay model           :  0.00209 
       Octanol/air (Koa) model:  1.23E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 105.8022 E-12 cm3/molecule-sec
      Half-Life =     0.101 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.213 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00151 (Junge-Pankow, Mackay avg)
      1.23E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  84.36  L/kg (Kow method)
      Log Koc:  1.926       (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 = 1.116 (BCF = 13.07 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8398 days (HL = 0.1446 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.098 (BCF = 12.53)
   Log BAF Arnot-Gobas method (upper trophic) = 1.098 (BAF = 12.53)
       log Kow used: 2.20 (estimated)

 Volatilization from Water:
    Henry LC:  6.17E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      12.44  hours
    Half-Life from Model Lake :        235  hours   (9.792 days)

 Removal In Wastewater Treatment:
    Total removal:               5.57  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.32  percent
    Total to Air:                3.15  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.349           1.47         1000       
   Water     41.5            360          1000       
   Soil      58.1            720          1000       
   Sediment  0.0933          3.24e+003    0          
     Persistence Time: 289 hr