CAS Number: 122-69-0
SMILES : O=C(OCC=Cc(cccc1)c1)C=Cc(cccc2)c2
CHEM   : 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester
MOL FOR: C18 H16 O2 
MOL WT : 264.33
------------------------------ 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) =  4.83
    Log Kow (Exper. database match) =  4.45
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  373.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  104.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.42E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00323  (Modified Grain method)
    MP  (exp database):  44 deg C
    Subcooled liquid VP: 3.61E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00481 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.116
       log Kow used: 4.45 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.65033 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 :   2.43E-007  atm-m3/mole  (2.47E-002 Pa-m3/mole)
   Group Method:   1.94E-008  atm-m3/mole  (1.97E-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:  2.701E-006 atm-m3/mole  (2.737E-001 Pa-m3/mole)
      VP:   2.42E-005 mm Hg (source: MPBPVP)
      WS:   3.12 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.45  (exp database)
  Log Kaw used:  -5.003  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.453
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0521
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7993  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7051  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4259
   Biowin6 (MITI Non-Linear Model):   0.2862
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2219
 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):  0.00481 Pa (3.61E-005 mm Hg)
  Log Koa (Koawin est  ): 9.453
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000623 
       Octanol/air (Koa) model:  0.000697 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.022 
       Mackay model           :  0.0475 
       Octanol/air (Koa) model:  0.0528 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  81.3007 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  91.5607 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.579 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.402 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.875000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    15.750000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     3.493 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.746 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.0348 (Junge-Pankow, Mackay avg)
      0.0528 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.718E+004  L/kg (MCI method)
      Log Koc:  4.434       (MCI method)
      Koc    :  2094  L/kg (Kow method)
      Log Koc:  3.321       (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 = 2.603 (BCF = 401 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5862 days (HL = 0.2593 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.028 (BCF = 106.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.028 (BAF = 106.6)
       log Kow used: 4.45 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.94E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 4.907E+004  hours   (2045 days)
    Half-Life from Model Lake : 5.354E+005  hours   (2.231E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:              53.37  percent
    Total biodegradation:        0.50  percent
    Total sludge adsorption:    52.87  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       0.0975          1.66         1000       
   Water     17.9            360          1000       
   Soil      68.1            720          1000       
   Sediment  13.9            3.24e+003    0          
     Persistence Time: 614 hr