CAS Number: 16397-78-7
SMILES : CCCCC(CC)COC(=O)C=Cc1ccccc1
CHEM   : 2-ethylhexyl 3-phenylprop-2-enoate
MOL FOR: C17 H24 O2 
MOL WT : 260.38
------------------------------ 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) =  5.72
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  336.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  69.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000103  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0138  (Modified Grain method)
    Subcooled liquid VP: 0.000274 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0365 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.2692
       log Kow used: 5.72 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.27286 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.01E-005  atm-m3/mole  (3.05E+000 Pa-m3/mole)
   Group Method:   1.04E-005  atm-m3/mole  (1.06E+000 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:  1.311E-004 atm-m3/mole  (1.328E+001 Pa-m3/mole)
      VP:   0.000103 mm Hg (source: MPBPVP)
      WS:   0.269 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.72  (KowWin est)
  Log Kaw used:  -2.910  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.630
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0343
   Biowin2 (Non-Linear Model)     :   0.9991
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0843  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9750  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5319
   Biowin6 (MITI Non-Linear Model):   0.5497
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0891
 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):  0.0365 Pa (0.000274 mm Hg)
  Log Koa (Koawin est  ): 8.630
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.21E-005 
       Octanol/air (Koa) model:  0.000105 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00296 
       Mackay model           :  0.00653 
       Octanol/air (Koa) model:  0.00831 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  32.4796 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  35.1396 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    3.952 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    3.653 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):
      0.00474 (Junge-Pankow, Mackay avg)
      0.00831 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.345E+004  L/kg (MCI method)
      Log Koc:  4.129       (MCI method)
      Koc    :  1.055E+004  L/kg (Kow method)
      Log Koc:  4.023       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.176E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.556  years  
  Kb Half-Life at pH 7:      35.562  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.442 (BCF = 2766 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2542 days (HL = 0.5569 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.327 (BCF = 212.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.331 (BAF = 214.4)
       log Kow used: 5.72 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.04E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      92.49  hours   (3.854 days)
    Half-Life from Model Lake :       1144  hours   (47.68 days)
 
 Removal In Wastewater Treatment:
    Total removal:              90.50  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    89.72  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.552           6.07         1000       
   Water     21.6            360          1000       
   Soil      69.5            720          1000       
   Sediment  8.35            3.24e+003    0          
     Persistence Time: 499 hr