CAS Num: 007493-65-4
SMILES : O=C(OCC=C)CCCC(CCCC1)C1
CHEM   : Cyclohexanebutanoic acid, 2-propenyl ester
MOL FOR: C13 H22 O2 
MOL WT : 210.32
------------------------------ 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) =  4.96

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  271.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  27.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00846  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.13  (Modified Grain method)
    Subcooled liquid VP: 0.00897 mm Hg (25 deg C, Mod-Grain method)
                       : 1.2 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.241
       log Kow used: 4.96 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.41 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 :   9.79E-004  atm-m3/mole  (9.92E+001 Pa-m3/mole)
   Group Method:   3.54E-004  atm-m3/mole  (3.58E+001 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:  1.045E-003 atm-m3/mole  (1.059E+002 Pa-m3/mole)
      VP:   0.00846 mm Hg (source: MPBPVP)
      WS:   2.24 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.96  (KowWin est)
  Log Kaw used:  -1.398  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.358
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8216
   Biowin2 (Non-Linear Model)     :   0.9837
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8746  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7733  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7575
   Biowin6 (MITI Non-Linear Model):   0.8528
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3307
 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):  1.2 Pa (0.00897 mm Hg)
  Log Koa (Koawin est  ): 6.358
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.51E-006 
       Octanol/air (Koa) model:  5.6E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.06E-005 
       Mackay model           :  0.000201 
       Octanol/air (Koa) model:  4.48E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  41.6520 E-12 cm3/molecule-sec
      Half-Life =     0.257 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.082 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.000146 (Junge-Pankow, Mackay avg)
      4.48E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1324  L/kg (MCI method)
      Log Koc:  3.122       (MCI method)
      Koc    :  4009  L/kg (Kow method)
      Log Koc:  3.603       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.798E-001  L/mol-sec
  Kb Half-Life at pH 8:      44.625  days   
  Kb Half-Life at pH 7:       1.222  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.941 (BCF = 872.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4248 days (HL = 0.376 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.191 (BCF = 155.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.191 (BAF = 155.4)
       log Kow used: 4.96 (estimated)

 Volatilization from Water:
    Henry LC:  0.000354 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      3.878  hours
    Half-Life from Model Lake :      163.9  hours   (6.83 days)

 Removal In Wastewater Treatment:
    Total removal:              77.64  percent
    Total biodegradation:        0.64  percent
    Total sludge adsorption:    74.13  percent
    Total to Air:                2.87  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.734           4.86         1000       
   Water     18.6            360          1000       
   Soil      79.8            720          1000       
   Sediment  0.837           3.24e+003    0          
     Persistence Time: 411 hr