CAS Num: 000104-27-8
SMILES : CCC(=O)C=Cc1ccc(OC)cc1
CHEM   : 
MOL FOR: C12 H14 O2 
MOL WT : 190.24
------------------------------ 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) =  2.61

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  285.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  55.54  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00216  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.288  (Modified Grain method)
    Subcooled liquid VP: 0.00414 mm Hg (25 deg C, Mod-Grain method)
                       : 0.551 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  289.6
       log Kow used: 2.61 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  31.968 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.19E-008  atm-m3/mole  (9.31E-003 Pa-m3/mole)
   Group Method:   2.74E-007  atm-m3/mole  (2.78E-002 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:  1.867E-006 atm-m3/mole  (1.892E-001 Pa-m3/mole)
      VP:   0.00216 mm Hg (source: MPBPVP)
      WS:   290 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.61  (KowWin est)
  Log Kaw used:  -5.425  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.035
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7957
   Biowin2 (Non-Linear Model)     :   0.8911
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6982  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6282  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5546
   Biowin6 (MITI Non-Linear Model):   0.5487
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0397
 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):  0.552 Pa (0.00414 mm Hg)
  Log Koa (Koawin est  ): 8.035
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.43E-006 
       Octanol/air (Koa) model:  2.66E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000196 
       Mackay model           :  0.000435 
       Octanol/air (Koa) model:  0.00212 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  73.0377 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  79.8777 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.757 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.607 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):
      0.000315 (Junge-Pankow, Mackay avg)
      0.00212 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  206.3  L/kg (MCI method)
      Log Koc:  2.314       (MCI method)
      Koc    :  417.1  L/kg (Kow method)
      Log Koc:  2.620       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.389 (BCF = 24.48 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1225 days (HL = 0.7542 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.581 (BCF = 38.11)
   Log BAF Arnot-Gobas method (upper trophic) = 1.581 (BAF = 38.11)
       log Kow used: 2.61 (estimated)

 Volatilization from Water:
    Henry LC:  2.74E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2949  hours   (122.9 days)
    Half-Life from Model Lake : 3.228E+004  hours   (1345 days)

 Removal In Wastewater Treatment:
    Total removal:               3.47  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.34  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       0.14            3.1          1000       
   Water     21.1            900          1000       
   Soil      78.5            1.8e+003     1000       
   Sediment  0.254           8.1e+003     0          
     Persistence Time: 998 hr