CAS Num: 035044-58-7
SMILES : O=C(OCC)C(C(C=CC1)=C)C1(C)C
CHEM   : 3-Cyclohexene-1-carboxylic acid, 6,6-dimethyl-2-methylene-,ethyl este
         r
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) =  4.20

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  238.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  30.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0415  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.53  (Modified Grain method)
    Subcooled liquid VP: 0.0467 mm Hg (25 deg C, Mod-Grain method)
                       : 6.23 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  12.1
       log Kow used: 4.20 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  40.101 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.24E-004  atm-m3/mole  (6.32E+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:  8.768E-004 atm-m3/mole  (8.884E+001 Pa-m3/mole)
      VP:   0.0415 mm Hg (source: MPBPVP)
      WS:   12.1 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.20  (KowWin est)
  Log Kaw used:  -1.593  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.793
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6453
   Biowin2 (Non-Linear Model)     :   0.9313
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6979  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6430  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6531
   Biowin6 (MITI Non-Linear Model):   0.6157
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0863
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.23 Pa (0.0467 mm Hg)
  Log Koa (Koawin est  ): 5.793
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.82E-007 
       Octanol/air (Koa) model:  1.52E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.74E-005 
       Mackay model           :  3.85E-005 
       Octanol/air (Koa) model:  1.22E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 145.8848 E-12 cm3/molecule-sec
      Half-Life =     0.073 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.880 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    18.000000 E-17 cm3/molecule-sec
      Half-Life =     0.064 Days (at 7E11 mol/cm3)
      Half-Life =      1.528 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      2.8E-005 (Junge-Pankow, Mackay avg)
      1.22E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  483.7  L/kg (MCI method)
      Log Koc:  2.685       (MCI method)
      Koc    :  1523  L/kg (Kow method)
      Log Koc:  3.183       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.249E-005  L/mol-sec
  Kb Half-Life at pH 8:     675.915  years  
  Kb Half-Life at pH 7:    6759.149  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.439 (BCF = 274.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5394 days (HL = 0.2888 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.059 (BCF = 114.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.059 (BAF = 114.7)
       log Kow used: 4.20 (estimated)

 Volatilization from Water:
    Henry LC:  0.000624 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       2.73  hours
    Half-Life from Model Lake :      146.7  hours   (6.111 days)

 Removal In Wastewater Treatment:
    Total removal:              50.01  percent
    Total biodegradation:        0.34  percent
    Total sludge adsorption:    36.70  percent
    Total to Air:               12.97  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.115           0.818        1000       
   Water     15.2            900          1000       
   Soil      84.2            1.8e+003     1000       
   Sediment  0.407           8.1e+003     0          
     Persistence Time: 634 hr