CAS Number: 93917-74-9
SMILES : CCCCCCC(=O)Oc1c(cc(cc1)CC=C)OC
CHEM   : (2-methoxy-4-prop-2-enylphenyl) heptanoate
MOL FOR: C17 H24 O3 
MOL WT : 276.38
------------------------------ 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) =  5.52
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  351.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  107.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.91E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00255  (Modified Grain method)
    Subcooled liquid VP: 0.000122 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0162 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.3251
       log Kow used: 5.52 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.13454 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.29E-005  atm-m3/mole  (2.32E+000 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.137E-005 atm-m3/mole  (2.165E+000 Pa-m3/mole)
      VP:   1.91E-005 mm Hg (source: MPBPVP)
      WS:   0.325 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.52  (KowWin est)
  Log Kaw used:  -3.029  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.549
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0852
   Biowin2 (Non-Linear Model)     :   0.9996
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8940  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9556  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6643
   Biowin6 (MITI Non-Linear Model):   0.6950
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2104
 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):  0.0163 Pa (0.000122 mm Hg)
  Log Koa (Koawin est  ): 8.549
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000184 
       Octanol/air (Koa) model:  8.69E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00662 
       Mackay model           :  0.0145 
       Octanol/air (Koa) model:  0.0069 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  73.2232 E-12 cm3/molecule-sec
      Half-Life =     0.146 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.753 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.0106 (Junge-Pankow, Mackay avg)
      0.0069 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4826  L/kg (MCI method)
      Log Koc:  3.684       (MCI method)
      Koc    :  9305  L/kg (Kow method)
      Log Koc:  3.969       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.013E+000  L/mol-sec
  Kb Half-Life at pH 8:       7.917  days   
  Kb Half-Life at pH 7:      79.174  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.309 (BCF = 2035 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2246 days (HL = 0.5962 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.372 (BCF = 235.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.375 (BAF = 237)
       log Kow used: 5.52 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.29E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       44.2  hours   (1.842 days)
    Half-Life from Model Lake :      621.6  hours   (25.9 days)
 
 Removal In Wastewater Treatment:
    Total removal:              88.55  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    87.72  percent
    Total to Air:                0.08  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.318           3.04         1000       
   Water     22.6            360          1000       
   Soil      73.8            720          1000       
   Sediment  3.3             3.24e+003    0          
     Persistence Time: 468 hr