CAS Number: 95-41-0
SMILES : O=C(C(=CC1)CCCCCC)C1
CHEM   : 2-Cyclopenten-1-one, 2-hexyl-
MOL FOR: C11 H18 O1 
MOL WT : 166.27
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.71
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  252.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  35.40  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0313  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.17  (Modified Grain method)
    BP  (exp database):  127 @ 30 mm Hg deg C
    Subcooled liquid VP: 0.0388 mm Hg (25 deg C, Mod-Grain method)
                       : 5.17 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  43.35
       log Kow used: 3.71 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15.245 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.17E-004  atm-m3/mole  (1.18E+001 Pa-m3/mole)
   Group Method:   7.92E-005  atm-m3/mole  (8.02E+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:  1.580E-004 atm-m3/mole  (1.601E+001 Pa-m3/mole)
      VP:   0.0313 mm Hg (source: MPBPVP)
      WS:   43.4 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.71  (KowWin est)
  Log Kaw used:  -2.320  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.030
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7837
   Biowin2 (Non-Linear Model)     :   0.8848
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1076  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8547  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6284
   Biowin6 (MITI Non-Linear Model):   0.7734
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1367
 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):  5.17 Pa (0.0388 mm Hg)
  Log Koa (Koawin est  ): 6.030
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.8E-007 
       Octanol/air (Koa) model:  2.63E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.09E-005 
       Mackay model           :  4.64E-005 
       Octanol/air (Koa) model:  2.1E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  87.7968 E-12 cm3/molecule-sec
      Half-Life =     0.122 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.462 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):
      3.37E-005 (Junge-Pankow, Mackay avg)
      2.1E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  328.5  L/kg (MCI method)
      Log Koc:  2.516       (MCI method)
      Koc    :  1489  L/kg (Kow method)
      Log Koc:  3.173       (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 = 2.116 (BCF = 130.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3114 days (HL = 0.4882 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.174 (BCF = 149.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.174 (BAF = 149.4)
       log Kow used: 3.71 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.92E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      10.85  hours
    Half-Life from Model Lake :      226.5  hours   (9.436 days)
 
 Removal In Wastewater Treatment:
    Total removal:              21.68  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    18.21  percent
    Total to Air:                3.25  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.223           1.64         1000       
   Water     23.1            360          1000       
   Soil      76.4            720          1000       
   Sediment  0.323           3.24e+003    0          
     Persistence Time: 420 hr