CAS Number: 122-68-9
SMILES : O=C(OCCCc(cccc1)c1)C=Cc(cccc2)c2
CHEM   : 2-Propenoic acid, 3-phenyl-, 3-phenylpropyl ester
MOL FOR: C18 H18 O2 
MOL WT : 266.34
------------------------------ 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) =  5.05
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  370.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  105.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.09E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000945  (Modified Grain method)
    Subcooled liquid VP: 4.4E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00586 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.9383
       log Kow used: 5.05 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.29621 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.89E-007  atm-m3/mole  (5.97E-002 Pa-m3/mole)
   Group Method:   3.22E-008  atm-m3/mole  (3.27E-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:  2.648E-006 atm-m3/mole  (2.683E-001 Pa-m3/mole)
      VP:   7.09E-006 mm Hg (source: MPBPVP)
      WS:   0.938 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.05  (KowWin est)
  Log Kaw used:  -4.618  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.668
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1058
   Biowin2 (Non-Linear Model)     :   0.9994
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7200  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6337  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4012
   Biowin6 (MITI Non-Linear Model):   0.3264
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2731
 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):  0.00587 Pa (4.4E-005 mm Hg)
  Log Koa (Koawin est  ): 9.668
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000511 
       Octanol/air (Koa) model:  0.00114 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0181 
       Mackay model           :  0.0393 
       Octanol/air (Koa) model:  0.0838 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.8182 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  33.4782 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    4.165 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    3.834 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):
      0.0287 (Junge-Pankow, Mackay avg)
      0.0838 (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    :  4496  L/kg (Kow method)
      Log Koc:  3.653       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.614E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.285  years  
  Kb Half-Life at pH 7:      22.845  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.997 (BCF = 993.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7399 days (HL = 0.182 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.882 (BCF = 76.24)
   Log BAF Arnot-Gobas method (upper trophic) = 1.882 (BAF = 76.25)
       log Kow used: 5.05 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.22E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.968E+004  hours   (1236 days)
    Half-Life from Model Lake : 3.239E+005  hours   (1.349E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:              79.23  percent
    Total biodegradation:        0.69  percent
    Total sludge adsorption:    78.54  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       0.103           6.32         1000       
   Water     11              900          1000       
   Soil      71.9            1.8e+003     1000       
   Sediment  17              8.1e+003     0          
     Persistence Time: 1.63e+003 hr