CAS Num: 084434-20-8
SMILES : CC(=O)CC(=O)OCCC=CCC
CHEM   : Butanoic acid, 3-oxo-, 3-hexenyl ester, (Z)-
MOL FOR: C10 H16 O3 
MOL WT : 184.24
------------------------------ 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) =  1.55

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  252.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  25.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0236  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.15  (Modified Grain method)
    Subcooled liquid VP: 0.0236 mm Hg (25 deg C, Mod-Grain method)
                       : 3.15 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2511
       log Kow used: 1.55 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4238.3 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.28E-007  atm-m3/mole  (4.34E-002 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:  2.278E-006 atm-m3/mole  (2.309E-001 Pa-m3/mole)
      VP:   0.0236 mm Hg (source: MPBPVP)
      WS:   2.51E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.55  (KowWin est)
  Log Kaw used:  -4.757  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.307
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9493
   Biowin2 (Non-Linear Model)     :   0.9972
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2081  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0577  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8364
   Biowin6 (MITI Non-Linear Model):   0.9089
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0961
 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):  3.15 Pa (0.0236 mm Hg)
  Log Koa (Koawin est  ): 6.307
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.53E-007 
       Octanol/air (Koa) model:  4.98E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.44E-005 
       Mackay model           :  7.63E-005 
       Octanol/air (Koa) model:  3.98E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  60.8074 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  68.4074 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.111 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.876 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):
      5.54E-005 (Junge-Pankow, Mackay avg)
      3.98E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  24.38  L/kg (MCI method)
      Log Koc:  1.387       (MCI method)
      Koc    :  81.74  L/kg (Kow method)
      Log Koc:  1.912       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.197E-001  L/mol-sec
  Kb Half-Life at pH 8:      19.115  days   
  Kb Half-Life at pH 7:     191.153  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.687 (BCF = 4.865 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6561 days (HL = 0.02207 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.376 (BCF = 2.379)
   Log BAF Arnot-Gobas method (upper trophic) = 0.376 (BAF = 2.379)
       log Kow used: 1.55 (estimated)

 Volatilization from Water:
    Henry LC:  4.28E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1858  hours   (77.42 days)
    Half-Life from Model Lake : 2.038E+004  hours   (849.4 days)

 Removal In Wastewater Treatment:
    Total removal:               2.01  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.89  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.171           1.41         1000       
   Water     34.8            360          1000       
   Soil      65              720          1000       
   Sediment  0.0991          3.24e+003    0          
     Persistence Time: 400 hr