CAS Number: 1123751-39-2
SMILES : CCC(=O)CCC=CC=CC=C
CHEM   : (6Z,8E)-undeca-6,8,10-trien-3-one
MOL FOR: C11 H16 O1 
MOL WT : 164.25
------------------------------ 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) =  3.13
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  234.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  0.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0985  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  13.1  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  139.6
       log Kow used: 3.13 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  193.72 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.83E-004  atm-m3/mole  (1.85E+001 Pa-m3/mole)
   Group Method:   9.52E-006  atm-m3/mole  (9.64E-001 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:  1.525E-004 atm-m3/mole  (1.545E+001 Pa-m3/mole)
      VP:   0.0985 mm Hg (source: MPBPVP)
      WS:   140 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.13  (KowWin est)
  Log Kaw used:  -2.126  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.256
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6762
   Biowin2 (Non-Linear Model)     :   0.5556
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8137  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5885  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5332
   Biowin6 (MITI Non-Linear Model):   0.5312
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0721
 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):  12.5 Pa (0.0937 mm Hg)
  Log Koa (Koawin est  ): 5.256
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.4E-007 
       Octanol/air (Koa) model:  4.43E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.67E-006 
       Mackay model           :  1.92E-005 
       Octanol/air (Koa) model:  3.54E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 148.7901 E-12 cm3/molecule-sec
      Half-Life =     0.072 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.863 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.440000 E-17 cm3/molecule-sec
      Half-Life =     0.211 Days (at 7E11 mol/cm3)
      Half-Life =      5.056 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.39E-005 (Junge-Pankow, Mackay avg)
      3.54E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  315.1  L/kg (MCI method)
      Log Koc:  2.499       (MCI method)
      Koc    :  711.2  L/kg (Kow method)
      Log Koc:  2.852       (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 = 1.730 (BCF = 53.76 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1675 days (HL = 0.6799 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.975 (BCF = 94.37)
   Log BAF Arnot-Gobas method (upper trophic) = 1.975 (BAF = 94.37)
       log Kow used: 3.13 (estimated)
 
 Volatilization from Water:
    Henry LC:  9.52E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      80.13  hours   (3.339 days)
    Half-Life from Model Lake :      981.6  hours   (40.9 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.44  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.81  percent
    Total to Air:                0.50  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.141           1.29         1000       
   Water     25.4            360          1000       
   Soil      74.1            720          1000       
   Sediment  0.344           3.24e+003    0          
     Persistence Time: 448 hr