CAS Num: 000591-87-7
SMILES : O=C(OCC=C)C
CHEM   : Acetic acid, 2-propenyl ester
MOL FOR: C5 H8 O2 
MOL WT : 100.12
------------------------------ 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) =  1.22
    Log Kow (Exper. database match) =  0.97
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  100.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -70.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  32.2  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.3E+003  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  103.5 deg C
    VP  (exp database):  2.72E+01 mm Hg (3.63E+003 Pa) at 20 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.735e+004
       log Kow used: 0.97 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2.8e+004 mg/L (20 deg C)
        Exper. Ref:  NAGATO,N (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13296 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 :   2.30E-004  atm-m3/mole  (2.33E+001 Pa-m3/mole)
   Group Method:   1.62E-004  atm-m3/mole  (1.64E+001 Pa-m3/mole)
   Exper Database: 1.28E-04  atm-m3/mole  (1.30E+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:  2.445E-004 atm-m3/mole  (2.477E+001 Pa-m3/mole)
      VP:   32.2 mm Hg (source: MPBPVP)
      WS:   1.74E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.97  (exp database)
  Log Kaw used:  -2.281  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.251
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8741
   Biowin2 (Non-Linear Model)     :   0.9966
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1181  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9323  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8264
   Biowin6 (MITI Non-Linear Model):   0.9319
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7338
 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):  3.63E+003 Pa (27.2 mm Hg)
  Log Koa (Koawin est  ): 3.251
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.27E-010 
       Octanol/air (Koa) model:  4.38E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.99E-008 
       Mackay model           :  6.62E-008 
       Octanol/air (Koa) model:  3.5E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.8366 E-12 cm3/molecule-sec
      Half-Life =     0.384 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.611 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):
      4.8E-008 (Junge-Pankow, Mackay avg)
      3.5E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10.17  L/kg (MCI method)
      Log Koc:  1.008       (MCI method)
      Koc    :  24.89  L/kg (Kow method)
      Log Koc:  1.396       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.467E-001  L/mol-sec
  Kb Half-Life at pH 8:      23.141  days   
  Kb Half-Life at pH 7:     231.410  days   
    (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) = -1.6904 days (HL = 0.0204 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.120 (BCF = 1.32)
   Log BAF Arnot-Gobas method (upper trophic) = 0.120 (BAF = 1.32)
       log Kow used: 0.97 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000128 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      5.598  hours
    Half-Life from Model Lake :        145  hours   (6.04 days)

 Removal In Wastewater Treatment:
    Total removal:               7.84  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.70  percent
    Total to Air:                6.06  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.56            8.75         1000       
   Water     42.6            360          1000       
   Soil      54.8            720          1000       
   Sediment  0.0962          3.24e+003    0          
     Persistence Time: 247 hr