CAS Number: 65001-62-9
SMILES : CC(C=C)OC(=O)c1ccccc1
CHEM   : but-3-en-2-yl benzoate
MOL FOR: C11 H12 O2 
MOL WT : 176.22
------------------------------ 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) =  3.09
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  240.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  9.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0459  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  6.12  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  131.5
       log Kow used: 3.09 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  192 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.05E-005  atm-m3/mole  (6.13E+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:  8.093E-005 atm-m3/mole  (8.201E+000 Pa-m3/mole)
      VP:   0.0459 mm Hg (source: MPBPVP)
      WS:   132 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.09  (KowWin est)
  Log Kaw used:  -2.607  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.697
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9659
   Biowin2 (Non-Linear Model)     :   0.9983
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9720  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8273  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5410
   Biowin6 (MITI Non-Linear Model):   0.6202
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2830
 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):  5.87 Pa (0.044 mm Hg)
  Log Koa (Koawin est  ): 5.697
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.11E-007 
       Octanol/air (Koa) model:  1.22E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.85E-005 
       Mackay model           :  4.09E-005 
       Octanol/air (Koa) model:  9.77E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.3487 E-12 cm3/molecule-sec
      Half-Life =     0.341 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.094 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):
      2.97E-005 (Junge-Pankow, Mackay avg)
      9.77E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  358  L/kg (MCI method)
      Log Koc:  2.554       (MCI method)
      Koc    :  370.4  L/kg (Kow method)
      Log Koc:  2.569       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.818E-002  L/mol-sec
  Kb Half-Life at pH 8:     284.631  days   
  Kb Half-Life at pH 7:       7.793  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.707 (BCF = 50.91 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1479 days (HL = 0.07113 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.382 (BCF = 24.09)
   Log BAF Arnot-Gobas method (upper trophic) = 1.382 (BAF = 24.09)
       log Kow used: 3.09 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.05E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       14.2  hours
    Half-Life from Model Lake :      266.2  hours   (11.09 days)
 
 Removal In Wastewater Treatment:
    Total removal:               9.38  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.29  percent
    Total to Air:                2.96  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.73            6.03         1000       
   Water     23.3            360          1000       
   Soil      75.6            720          1000       
   Sediment  0.349           3.24e+003    0          
     Persistence Time: 431 hr