CAS Number: 1070-35-5
SMILES : CC(=O)CCC(=O)OCC=C
CHEM   : prop-2-enyl 4-oxopentanoate
MOL FOR: C8 H12 O3 
MOL WT : 156.18
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.64
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  208.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  2.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.237  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  31.6  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.013e+004
       log Kow used: 0.64 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  19928 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 :   2.06E-007  atm-m3/mole  (2.08E-002 Pa-m3/mole)
   Group Method:   3.01E-008  atm-m3/mole  (3.05E-003 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:  2.419E-006 atm-m3/mole  (2.452E-001 Pa-m3/mole)
      VP:   0.237 mm Hg (source: MPBPVP)
      WS:   2.01E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.64  (KowWin est)
  Log Kaw used:  -5.075  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.715
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8542
   Biowin2 (Non-Linear Model)     :   0.9881
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9718  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8291  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8762
   Biowin6 (MITI Non-Linear Model):   0.9364
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3939
 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):  29.1 Pa (0.218 mm Hg)
  Log Koa (Koawin est  ): 5.715
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.03E-007 
       Octanol/air (Koa) model:  1.27E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.73E-006 
       Mackay model           :  8.26E-006 
       Octanol/air (Koa) model:  1.02E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  29.8872 E-12 cm3/molecule-sec
      Half-Life =     0.358 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.295 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):
      5.99E-006 (Junge-Pankow, Mackay avg)
      1.02E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  25.65  L/kg (Kow method)
      Log Koc:  1.409       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.281E-001  L/mol-sec
  Kb Half-Life at pH 8:      62.630  days   
  Kb Half-Life at pH 7:       1.715  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.0665 days (HL = 0.00858 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.004 (BCF = 1.009)
   Log BAF Arnot-Gobas method (upper trophic) = 0.004 (BAF = 1.009)
       log Kow used: 0.64 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.01E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.431E+004  hours   (1013 days)
    Half-Life from Model Lake : 2.653E+005  hours   (1.105E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.87  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.345           6.25         1000       
   Water     34.7            360          1000       
   Soil      64.9            720          1000       
   Sediment  0.0782          3.24e+003    0          
     Persistence Time: 486 hr