CAS Num: 061444-39-1
SMILES : O=C(OCCC=CCC)CCCCCC
CHEM   : Heptanoic acid, 3-hexenyl ester, (Z)-
MOL FOR: C13 H24 O2 
MOL WT : 212.34
------------------------------ 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) =  5.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  269.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  22.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00923  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.23  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.771
       log Kow used: 5.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.0485 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.62E-003  atm-m3/mole  (2.66E+002 Pa-m3/mole)
   Group Method:   9.30E-004  atm-m3/mole  (9.42E+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:  1.456E-003 atm-m3/mole  (1.475E+002 Pa-m3/mole)
      VP:   0.00923 mm Hg (source: MPBPVP)
      WS:   1.77 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.07  (KowWin est)
  Log Kaw used:  -0.970  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.040
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0375
   Biowin2 (Non-Linear Model)     :   0.9996
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4668  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3085  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8327
   Biowin6 (MITI Non-Linear Model):   0.9148
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2742
 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):  1.26 Pa (0.00946 mm Hg)
  Log Koa (Koawin est  ): 6.040
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.38E-006 
       Octanol/air (Koa) model:  2.69E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.59E-005 
       Mackay model           :  0.00019 
       Octanol/air (Koa) model:  2.15E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  66.3996 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  73.9996 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.933 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.734 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):
      0.000138 (Junge-Pankow, Mackay avg)
      2.15E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1296  L/kg (MCI method)
      Log Koc:  3.113       (MCI method)
      Koc    :  4612  L/kg (Kow method)
      Log Koc:  3.664       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.881E-002  L/mol-sec
  Kb Half-Life at pH 8:     164.355  days   
  Kb Half-Life at pH 7:       4.500  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.637 (BCF = 43.38 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3345 days (HL = 0.4629 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.278 (BCF = 189.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.279 (BAF = 190.1)
       log Kow used: 5.07 (estimated)

 Volatilization from Water:
    Henry LC:  0.00093 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.404  hours
    Half-Life from Model Lake :      148.4  hours   (6.184 days)

 Removal In Wastewater Treatment:
    Total removal:              81.86  percent
    Total biodegradation:        0.64  percent
    Total sludge adsorption:    76.00  percent
    Total to Air:                5.23  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.369           1.37         1000       
   Water     22              208          1000       
   Soil      77              416          1000       
   Sediment  0.66            1.87e+003    0          
     Persistence Time: 241 hr