CAS Num: 065737-52-2
SMILES : O=C(C(CC1)CC=CCCCCC)C1
CHEM   : Cyclopentanone, 2-(2-octenyl)-
MOL FOR: C13 H22 O1 
MOL WT : 194.32
------------------------------ 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) =  4.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  284.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  44.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0051  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.68  (Modified Grain method)
    Subcooled liquid VP: 0.00774 mm Hg (25 deg C, Mod-Grain method)
                       : 1.03 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  10.45
       log Kow used: 4.28 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  21.767 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.27E-004  atm-m3/mole  (3.31E+001 Pa-m3/mole)
   Group Method:   5.87E-005  atm-m3/mole  (5.95E+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:  1.248E-004 atm-m3/mole  (1.264E+001 Pa-m3/mole)
      VP:   0.0051 mm Hg (source: MPBPVP)
      WS:   10.4 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.28  (KowWin est)
  Log Kaw used:  -1.874  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.154
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7703
   Biowin2 (Non-Linear Model)     :   0.8375
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0456  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8142  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5833
   Biowin6 (MITI Non-Linear Model):   0.6349
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2908
 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):  1.03 Pa (0.00774 mm Hg)
  Log Koa (Koawin est  ): 6.154
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.91E-006 
       Octanol/air (Koa) model:  3.5E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000105 
       Mackay model           :  0.000233 
       Octanol/air (Koa) model:  2.8E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  73.0288 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  80.6288 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.758 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.592 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000169 (Junge-Pankow, Mackay avg)
      2.8E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1091  L/kg (MCI method)
      Log Koc:  3.038       (MCI method)
      Koc    :  3077  L/kg (Kow method)
      Log Koc:  3.488       (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 = 2.488 (BCF = 307.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0023 days (HL = 0.9947 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.539 (BCF = 345.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.539 (BAF = 346.1)
       log Kow used: 4.28 (estimated)

 Volatilization from Water:
    Henry LC:  5.87E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      15.33  hours
    Half-Life from Model Lake :      284.1  hours   (11.84 days)

 Removal In Wastewater Treatment:
    Total removal:              45.40  percent
    Total biodegradation:        0.42  percent
    Total sludge adsorption:    43.33  percent
    Total to Air:                1.65  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.163           1.32         1000       
   Water     22.3            360          1000       
   Soil      76.7            720          1000       
   Sediment  0.849           3.24e+003    0          
     Persistence Time: 442 hr