CAS Num: 000103-26-4
SMILES : O=C(OC)C=Cc(cccc1)c1
CHEM   : 2-Propenoic acid, 3-phenyl-, methyl ester
MOL FOR: C10 H10 O2 
MOL WT : 162.19
------------------------------ 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) =  2.36
    Log Kow (Exper. database match) =  2.62
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  239.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  9.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0124  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.65  (Modified Grain method)
    MP  (exp database):  36 deg C
    BP  (exp database):  260.4 deg C
    VP  (exp database):  3.45E-02 mm Hg (4.60E+000 Pa) at 25 deg C
    Subcooled liquid VP: 0.0443 mm Hg (25 deg C, exp database VP )
                       : 5.91 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  387.1
       log Kow used: 2.62 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  582.43 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.14E-006  atm-m3/mole  (4.20E-001 Pa-m3/mole)
   Group Method:   8.10E-007  atm-m3/mole  (8.21E-002 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:  6.836E-006 atm-m3/mole  (6.927E-001 Pa-m3/mole)
      VP:   0.0124 mm Hg (source: MPBPVP)
      WS:   387 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.62  (exp database)
  Log Kaw used:  -3.771  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.391
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9726
   Biowin2 (Non-Linear Model)     :   0.9986
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0030  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8476  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6272
   Biowin6 (MITI Non-Linear Model):   0.7245
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5223
 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):  5.91 Pa (0.0443 mm Hg)
  Log Koa (Koawin est  ): 6.391
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.08E-007 
       Octanol/air (Koa) model:  6.04E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.83E-005 
       Mackay model           :  4.06E-005 
       Octanol/air (Koa) model:  4.83E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.7908 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  24.4508 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    5.890 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    5.249 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):
      2.95E-005 (Junge-Pankow, Mackay avg)
      4.83E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  218.7  L/kg (MCI method)
      Log Koc:  2.340       (MCI method)
      Koc    :  203.6  L/kg (Kow method)
      Log Koc:  2.309       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.199E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.831  years  
  Kb Half-Life at pH 7:      18.310  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.396 (BCF = 24.87 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1645 days (HL = 0.06847 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.213 (BCF = 16.33)
   Log BAF Arnot-Gobas method (upper trophic) = 1.213 (BAF = 16.33)
       log Kow used: 2.62 (expkow database)

 Volatilization from Water:
    Henry LC:  8.1E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      921.8  hours   (38.41 days)
    Half-Life from Model Lake : 1.016E+004  hours   (423.5 days)

 Removal In Wastewater Treatment:
    Total removal:               3.53  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.38  percent
    Total to Air:                0.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.737           8.12         1000       
   Water     25.9            360          1000       
   Soil      73.1            720          1000       
   Sediment  0.264           3.24e+003    0          
     Persistence Time: 462 hr