CAS Number: 932-66-1
SMILES : C(CCC1)=C(C1)C(=O)C
CHEM   : ETHANONE, 1-(1-CYCLOHEXEN-1-YL)-
MOL FOR: C8 H12 O1 
MOL WT : 124.18
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  2.24
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  180.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -13.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.156  (Modified Grain method)
    VP (Pa, 25 deg C) :  20.8  (Modified Grain method)
    MP  (exp database):  73 deg C
    BP  (exp database):  201.5 deg C
    Subcooled liquid VP: 0.443 mm Hg (25 deg C, Mod-Grain method)
                       : 59.1 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1188
       log Kow used: 2.24 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1201.7 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 :   4.99E-005  atm-m3/mole  (5.05E+000 Pa-m3/mole)
   Group Method:   2.81E-005  atm-m3/mole  (2.85E+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:  2.146E-005 atm-m3/mole  (2.174E+000 Pa-m3/mole)
      VP:   0.156 mm Hg (source: MPBPVP)
      WS:   1.19E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.24  (KowWin est)
  Log Kaw used:  -2.690  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.930
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6953
   Biowin2 (Non-Linear Model)     :   0.6883
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9023  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6463  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5459
   Biowin6 (MITI Non-Linear Model):   0.6831
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1890
 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):  59.1 Pa (0.443 mm Hg)
  Log Koa (Koawin est  ): 4.930
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.08E-008 
       Octanol/air (Koa) model:  2.09E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.83E-006 
       Mackay model           :  4.06E-006 
       Octanol/air (Koa) model:  1.67E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  83.4357 E-12 cm3/molecule-sec
      Half-Life =     0.128 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.538 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    19.963125 E-17 cm3/molecule-sec
      Half-Life =     0.057 Days (at 7E11 mol/cm3)
      Half-Life =      1.378 Hrs
   Fraction sorbed to airborne particulates (phi):
      2.95E-006 (Junge-Pankow, Mackay avg)
      1.67E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  51.85  L/kg (MCI method)
      Log Koc:  1.715       (MCI method)
      Koc    :  228.9  L/kg (Kow method)
      Log Koc:  2.360       (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 v3.01):
   Log BCF from regression-based method = 1.144 (BCF = 13.92 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6188 days (HL = 0.2405 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.185 (BCF = 15.3)
   Log BAF Arnot-Gobas method (upper trophic) = 1.185 (BAF = 15.3)
       log Kow used: 2.24 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.81E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      24.36  hours   (1.015 days)
    Half-Life from Model Lake :      359.1  hours   (14.96 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.02  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.41  percent
    Total to Air:                1.51  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.136           0.952        1000       
   Water     30.4            360          1000       
   Soil      69.4            720          1000       
   Sediment  0.12            3.24e+003    0          
     Persistence Time: 390 hr