CAS Number: 1866-31-5
SMILES : O=C(OCC=C)C=Cc(cccc1)c1
CHEM   : 2-Propenoic acid, 3-phenyl-, 2-propenyl ester
MOL FOR: C12 H12 O2 
MOL WT : 188.23
------------------------------ 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) =  3.20
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  272.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  29.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.74E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00233  (Modified Grain method)
    MP  (exp database):  268 dec deg C
    Subcooled liquid VP: 0.00813 mm Hg (25 deg C, Mod-Grain method)
                       : 1.08 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  92.3
       log Kow used: 3.20 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  58.976 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.44E-006  atm-m3/mole  (5.51E-001 Pa-m3/mole)
   Group Method:   1.12E-006  atm-m3/mole  (1.13E-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:  4.669E-008 atm-m3/mole  (4.731E-003 Pa-m3/mole)
      VP:   1.74E-005 mm Hg (source: MPBPVP)
      WS:   92.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.20  (KowWin est)
  Log Kaw used:  -3.653  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.853
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9602
   Biowin2 (Non-Linear Model)     :   0.9980
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9454  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8100  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6173
   Biowin6 (MITI Non-Linear Model):   0.6706
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4073
 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):  1.08 Pa (0.00813 mm Hg)
  Log Koa (Koawin est  ): 6.853
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.77E-006 
       Octanol/air (Koa) model:  1.75E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0001 
       Mackay model           :  0.000221 
       Octanol/air (Koa) model:  0.00014 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  49.3676 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  52.0276 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.600 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    2.467 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.250000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     3.300000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    12.224 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     8.335 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.000161 (Junge-Pankow, Mackay avg)
      0.00014 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  726.2  L/kg (MCI method)
      Log Koc:  2.861       (MCI method)
      Koc    :  426.1  L/kg (Kow method)
      Log Koc:  2.630       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.250E-002  L/mol-sec
  Kb Half-Life at pH 8:     246.821  days   
  Kb Half-Life at pH 7:       6.758  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.780 (BCF = 60.28 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9765 days (HL = 0.1056 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.543 (BCF = 34.88)
   Log BAF Arnot-Gobas method (upper trophic) = 1.543 (BAF = 34.88)
       log Kow used: 3.20 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.12E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      718.6  hours   (29.94 days)
    Half-Life from Model Lake :       7954  hours   (331.4 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.86  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.65  percent
    Total to Air:                0.06  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.353           3.65         1000       
   Water     24.8            360          1000       
   Soil      74.2            720          1000       
   Sediment  0.665           3.24e+003    0          
     Persistence Time: 466 hr