CAS Number: 103-36-6
SMILES : O=C(OCC)C=Cc(cccc1)c1
CHEM   : 2-Propenoic acid, 3-phenyl-, ethyl ester
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) =  2.85
    Log Kow (Exper. database match) =  2.99
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  257.46  (Adapted Stein & Brown method)
    Melting Pt (deg C):  20.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00874  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.17  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  7.0 deg C
    BP  (exp database):  271 deg C
    VP  (exp database):  3.27E-03 mm Hg (4.36E-001 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  160.6
       log Kow used: 2.99 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  178 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  183.76 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.50E-006  atm-m3/mole  (5.57E-001 Pa-m3/mole)
   Group Method:   1.09E-006  atm-m3/mole  (1.11E-001 Pa-m3/mole)
   Exper Database: 4.26E-06  atm-m3/mole  (4.32E-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:  1.262E-005 atm-m3/mole  (1.279E+000 Pa-m3/mole)
      VP:   0.00874 mm Hg (source: MPBPVP)
      WS:   161 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.99  (exp database)
  Log Kaw used:  -3.759  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.749
      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)    :   0.6349
   Biowin6 (MITI Non-Linear Model):   0.7293
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5483
 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):  0.436 Pa (0.00327 mm Hg)
  Log Koa (Koawin est  ): 6.749
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.88E-006 
       Octanol/air (Koa) model:  1.38E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000248 
       Mackay model           :  0.00055 
       Octanol/air (Koa) model:  0.00011 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  23.2348 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  25.8948 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    5.524 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    4.957 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.050000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.091 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.000399 (Junge-Pankow, Mackay avg)
      0.00011 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  398.5  L/kg (MCI method)
      Log Koc:  2.600       (MCI method)
      Koc    :  326.1  L/kg (Kow method)
      Log Koc:  2.513       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.133E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.939  years  
  Kb Half-Life at pH 7:      19.386  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.640 (BCF = 43.63 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0626 days (HL = 0.08658 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.420 (BCF = 26.31)
   Log BAF Arnot-Gobas method (upper trophic) = 1.420 (BAF = 26.31)
       log Kow used: 2.99 (expkow database)
 
 Volatilization from Water:
    Henry LC:  4.26E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      183.8  hours   (7.658 days)
    Half-Life from Model Lake :       2116  hours   (88.18 days)
 
 Removal In Wastewater Treatment:
    Total removal:               5.83  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.48  percent
    Total to Air:                0.23  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.741           7.77         1000       
   Water     25.3            360          1000       
   Soil      73.6            720          1000       
   Sediment  0.413           3.24e+003    0          
     Persistence Time: 458 hr