CAS Num: 007492-65-1
SMILES : c1(CC(=O)OCC=Cc2ccccc2)ccccc1
CHEM   : 
MOL FOR: C17 H16 O2 
MOL WT : 252.32
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.56

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  358.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  96.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.67E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00222  (Modified Grain method)
    Subcooled liquid VP: 8.33E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0111 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.954
       log Kow used: 4.56 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.96632 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.32E-007  atm-m3/mole  (8.43E-002 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:  1.877E-006 atm-m3/mole  (1.902E-001 Pa-m3/mole)
      VP:   1.67E-005 mm Hg (source: MPBPVP)
      WS:   2.95 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.56  (KowWin est)
  Log Kaw used:  -4.468  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.028
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1125
   Biowin2 (Non-Linear Model)     :   0.9995
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7510  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6539  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3935
   Biowin6 (MITI Non-Linear Model):   0.3211
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2472
 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):  0.0111 Pa (8.33E-005 mm Hg)
  Log Koa (Koawin est  ): 9.028
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00027 
       Octanol/air (Koa) model:  0.000262 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00966 
       Mackay model           :  0.0212 
       Octanol/air (Koa) model:  0.0205 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  63.2512 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  70.8512 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.029 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.812 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     6.825000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.0154 (Junge-Pankow, Mackay avg)
      0.0205 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.491E+004  L/kg (MCI method)
      Log Koc:  4.174       (MCI method)
      Koc    :  2409  L/kg (Kow method)
      Log Koc:  3.382       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.812E-001  L/mol-sec
  Kb Half-Life at pH 8:      13.803  days   
  Kb Half-Life at pH 7:     138.033  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.673 (BCF = 471 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8790 days (HL = 0.1321 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.748 (BCF = 55.95)
   Log BAF Arnot-Gobas method (upper trophic) = 1.748 (BAF = 55.95)
       log Kow used: 4.56 (estimated)

 Volatilization from Water:
    Henry LC:  8.32E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1119  hours   (46.64 days)
    Half-Life from Model Lake : 1.235E+004  hours   (514.4 days)

 Removal In Wastewater Treatment:
    Total removal:              59.16  percent
    Total biodegradation:        0.54  percent
    Total sludge adsorption:    58.60  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       0.184           2.02         1000       
   Water     21.7            360          1000       
   Soil      68.7            720          1000       
   Sediment  9.48            3.24e+003    0          
     Persistence Time: 508 hr