CAS Number: 103-41-3
SMILES : O=C(OCc(cccc1)c1)C=Cc(cccc2)c2
CHEM   : 2-Propenoic acid, 3-phenyl-, phenylmethyl ester
MOL FOR: C16 H14 O2 
MOL WT : 238.29
------------------------------ 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) =  4.06
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  346.81  (Adapted Stein & Brown method)
    Melting Pt (deg C):  87.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.86E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0132  (Modified Grain method)
    MP  (exp database):  39 deg C
    BP  (exp database):  350 deg C
    VP  (exp database):  1.00E-05 mm Hg (1.33E-003 Pa) at 25 deg C
    Subcooled liquid VP: 1.38E-005 mm Hg (25 deg C, exp database VP )
                       : 0.00183 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.269
       log Kow used: 4.06 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.1427 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.34E-007  atm-m3/mole  (3.39E-002 Pa-m3/mole)
   Group Method:   1.04E-008  atm-m3/mole  (1.06E-003 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:  3.335E-006 atm-m3/mole  (3.380E-001 Pa-m3/mole)
      VP:   9.86E-005 mm Hg (source: MPBPVP)
      WS:   9.27 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.06  (KowWin est)
  Log Kaw used:  -4.865  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.925
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0645
   Biowin2 (Non-Linear Model)     :   0.9993
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8568  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7427  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3858
   Biowin6 (MITI Non-Linear Model):   0.3157
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3356
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00184 Pa (1.38E-005 mm Hg)
  Log Koa (Koawin est  ): 8.925
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00163 
       Octanol/air (Koa) model:  0.000207 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0556 
       Mackay model           :  0.115 
       Octanol/air (Koa) model:  0.0163 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.9126 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  30.5726 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    4.598 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    4.198 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):
      0.0855 (Junge-Pankow, Mackay avg)
      0.0163 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8182  L/kg (MCI method)
      Log Koc:  3.913       (MCI method)
      Koc    :  1274  L/kg (Kow method)
      Log Koc:  3.105       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.794E-002  L/mol-sec
  Kb Half-Life at pH 8:     211.438  days   
  Kb Half-Life at pH 7:       5.789  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.349 (BCF = 223.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1963 days (HL = 0.06364 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.435 (BCF = 27.24)
   Log BAF Arnot-Gobas method (upper trophic) = 1.435 (BAF = 27.24)
       log Kow used: 4.06 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.04E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:  8.69E+004  hours   (3621 days)
    Half-Life from Model Lake : 9.482E+005  hours   (3.951E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:              32.88  percent
    Total biodegradation:        0.34  percent
    Total sludge adsorption:    32.54  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.134           6.81         1000       
   Water     16.9            360          1000       
   Soil      78.8            720          1000       
   Sediment  4.16            3.24e+003    0          
     Persistence Time: 708 hr