CAS Num: 061792-12-9
SMILES : O=C(OCC=Cc(cccc1)c1)C(=CC)C
CHEM   : 2-Butenoic acid, 2-methyl-, 3-phenyl-2-propenyl ester, (E,?)-
MOL FOR: C14 H16 O2 
MOL WT : 216.28
------------------------------ 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) =  4.16

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  305.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  30.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00132  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.177  (Modified Grain method)
    Subcooled liquid VP: 0.00148 mm Hg (25 deg C, Mod-Grain method)
                       : 0.197 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  10.04
       log Kow used: 4.16 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20.079 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Methacrylates
       Vinyl/Allyl Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.34E-005  atm-m3/mole  (1.35E+000 Pa-m3/mole)
   Group Method:   6.89E-006  atm-m3/mole  (6.99E-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:  3.741E-005 atm-m3/mole  (3.791E+000 Pa-m3/mole)
      VP:   0.00132 mm Hg (source: MPBPVP)
      WS:   10 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.16  (KowWin est)
  Log Kaw used:  -3.261  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.421
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9468
   Biowin2 (Non-Linear Model)     :   0.9970
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8834  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7695  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5223
   Biowin6 (MITI Non-Linear Model):   0.4707
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3952
 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):  0.197 Pa (0.00148 mm Hg)
  Log Koa (Koawin est  ): 7.421
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.52E-005 
       Octanol/air (Koa) model:  6.47E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000549 
       Mackay model           :  0.00121 
       Octanol/air (Koa) model:  0.000517 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  90.4146 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  98.0146 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.420 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.310 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    14.218750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    21.043749 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.934 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.307 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.000882 (Junge-Pankow, Mackay avg)
      0.000517 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2167  L/kg (MCI method)
      Log Koc:  3.336       (MCI method)
      Koc    :  1447  L/kg (Kow method)
      Log Koc:  3.161       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.607E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.917  years  
  Kb Half-Life at pH 7:      39.173  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.413 (BCF = 259.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4610 days (HL = 0.346 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.128 (BCF = 134.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.128 (BAF = 134.3)
       log Kow used: 4.16 (estimated)

 Volatilization from Water:
    Henry LC:  6.89E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      126.5  hours   (5.27 days)
    Half-Life from Model Lake :       1503  hours   (62.62 days)

 Removal In Wastewater Treatment:
    Total removal:              38.05  percent
    Total biodegradation:        0.38  percent
    Total sludge adsorption:    37.43  percent
    Total to Air:                0.24  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.12            1.15         1000       
   Water     24              360          1000       
   Soil      74.2            720          1000       
   Sediment  1.69            3.24e+003    0          
     Persistence Time: 464 hr