CAS Num: 015111-97-4
SMILES : C1(C)=CCC(C(=C)COC(=O)C)CC1
CHEM   : 3-Cyclohexene-1-ethanol, 4-methyl- -methylene-, acetate
MOL FOR: C12 H18 O2 
MOL WT : 194.28
------------------------------ 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) =  4.37

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  250.24  (Adapted Stein & Brown method)
    Melting Pt (deg C):  15.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0269  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.58  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.704
       log Kow used: 4.37 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  69.201 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.04E-004  atm-m3/mole  (9.16E+001 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:  7.900E-004 atm-m3/mole  (8.005E+001 Pa-m3/mole)
      VP:   0.0269 mm Hg (source: MPBPVP)
      WS:   8.7 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.37  (KowWin est)
  Log Kaw used:  -1.432  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.802
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8292
   Biowin2 (Non-Linear Model)     :   0.9870
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9101  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7964  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6183
   Biowin6 (MITI Non-Linear Model):   0.6218
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3336
 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):  3.51 Pa (0.0263 mm Hg)
  Log Koa (Koawin est  ): 5.802
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.56E-007 
       Octanol/air (Koa) model:  1.56E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.09E-005 
       Mackay model           :  6.84E-005 
       Octanol/air (Koa) model:  1.24E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 146.6183 E-12 cm3/molecule-sec
      Half-Life =     0.073 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.875 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    44.200001 E-17 cm3/molecule-sec
      Half-Life =     0.026 Days (at 7E11 mol/cm3)
      Half-Life =     37.336 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      4.97E-005 (Junge-Pankow, Mackay avg)
      1.24E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  548.7  L/kg (MCI method)
      Log Koc:  2.739       (MCI method)
      Koc    :  1891  L/kg (Kow method)
      Log Koc:  3.277       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.467E-001  L/mol-sec
  Kb Half-Life at pH 8:      23.141  days   
  Kb Half-Life at pH 7:     231.410  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.549 (BCF = 354.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3410 days (HL = 0.456 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.254 (BCF = 179.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.254 (BAF = 179.4)
       log Kow used: 4.37 (estimated)

 Volatilization from Water:
    Henry LC:  0.000904 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.325  hours
    Half-Life from Model Lake :      142.2  hours   (5.927 days)

 Removal In Wastewater Treatment:
    Total removal:              59.35  percent
    Total biodegradation:        0.39  percent
    Total sludge adsorption:    44.50  percent
    Total to Air:               14.46  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.106           0.459        1000       
   Water     20.6            360          1000       
   Soil      78.9            720          1000       
   Sediment  0.437           3.24e+003    0          
     Persistence Time: 336 hr