CAS Num: 042436-07-7
SMILES : O=C(OCCC=CCC)Cc(cccc1)c1
CHEM   : Benzeneacetic acid, 3-hexenyl ester, (Z)-
MOL FOR: C14 H18 O2 
MOL WT : 218.30
------------------------------ 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) =  4.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  304.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  51.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000874  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.116  (Modified Grain method)
    Subcooled liquid VP: 0.00152 mm Hg (25 deg C, Mod-Grain method)
                       : 0.203 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.167
       log Kow used: 4.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.5743 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.13E-005  atm-m3/mole  (5.20E+000 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:  3.503E-005 atm-m3/mole  (3.549E+000 Pa-m3/mole)
      VP:   0.000874 mm Hg (source: MPBPVP)
      WS:   7.17 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.32  (KowWin est)
  Log Kaw used:  -2.678  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.998
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1090
   Biowin2 (Non-Linear Model)     :   0.9997
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1025  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9672  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5529
   Biowin6 (MITI Non-Linear Model):   0.6250
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1608
 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):  0.203 Pa (0.00152 mm Hg)
  Log Koa (Koawin est  ): 6.998
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.48E-005 
       Octanol/air (Koa) model:  2.44E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000534 
       Mackay model           :  0.00118 
       Octanol/air (Koa) model:  0.000195 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  64.0119 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  71.6119 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.005 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.792 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):
      0.000859 (Junge-Pankow, Mackay avg)
      0.000195 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2412  L/kg (MCI method)
      Log Koc:  3.382       (MCI method)
      Koc    :  1774  L/kg (Kow method)
      Log Koc:  3.249       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.578E-001  L/mol-sec
  Kb Half-Life at pH 8:      50.837  days   
  Kb Half-Life at pH 7:       1.392  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.518 (BCF = 329.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8372 days (HL = 0.1455 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.784 (BCF = 60.81)
   Log BAF Arnot-Gobas method (upper trophic) = 1.784 (BAF = 60.81)
       log Kow used: 4.32 (estimated)

 Volatilization from Water:
    Henry LC:  5.13E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      18.37  hours
    Half-Life from Model Lake :      324.3  hours   (13.51 days)

 Removal In Wastewater Treatment:
    Total removal:              47.35  percent
    Total biodegradation:        0.44  percent
    Total sludge adsorption:    45.52  percent
    Total to Air:                1.39  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.164           1.38         1000       
   Water     22              360          1000       
   Soil      76.1            720          1000       
   Sediment  1.71            3.24e+003    0          
     Persistence Time: 451 hr