CAS Num: 017909-77-2
SMILES : O=CC(C)=CCCC(=CCC=C(C=C)C)C
CHEM   : 2,6,9,11-DODECATETRAENAL, 2,6,10-TRIMETHYL-, (E,E,E)-
MOL FOR: C15 H22 O1 
MOL WT : 218.34
------------------------------ 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) =  5.61

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  301.08  (Adapted Stein & Brown method)
    Melting Pt (deg C):  15.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00184  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.246  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.5734
       log Kow used: 5.61 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12.265 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.77E-004  atm-m3/mole  (9.90E+001 Pa-m3/mole)
   Group Method:   5.35E-005  atm-m3/mole  (5.42E+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:  9.219E-004 atm-m3/mole  (9.341E+001 Pa-m3/mole)
      VP:   0.00184 mm Hg (source: MPBPVP)
      WS:   0.573 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.61  (KowWin est)
  Log Kaw used:  -1.399  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.009
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9282
   Biowin2 (Non-Linear Model)     :   0.9992
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7390  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7294  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6606
   Biowin6 (MITI Non-Linear Model):   0.6187
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3568
 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):  0.245 Pa (0.00184 mm Hg)
  Log Koa (Koawin est  ): 7.009
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.22E-005 
       Octanol/air (Koa) model:  2.51E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000441 
       Mackay model           :  0.000977 
       Octanol/air (Koa) model:  0.0002 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 278.9637 E-12 cm3/molecule-sec
      Half-Life =     0.038 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.606 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    62.182999 E-17 cm3/molecule-sec
      Half-Life =     0.018 Days (at 7E11 mol/cm3)
      Half-Life =     26.538 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000709 (Junge-Pankow, Mackay avg)
      0.0002 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  901.1  L/kg (MCI method)
      Log Koc:  2.955       (MCI method)
      Koc    :  6293  L/kg (Kow method)
      Log Koc:  3.799       (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 = 3.366 (BCF = 2320 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.2733 days (HL = 18.76 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.713 (BCF = 5163)
   Log BAF Arnot-Gobas method (upper trophic) = 4.416 (BAF = 2.604e+004)
       log Kow used: 5.61 (estimated)

 Volatilization from Water:
    Henry LC:  5.35E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      17.68  hours
    Half-Life from Model Lake :      316.8  hours   (13.2 days)

 Removal In Wastewater Treatment:
    Total removal:              89.55  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    88.66  percent
    Total to Air:                0.14  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.018           0.299        1000       
   Water     15.8            900          1000       
   Soil      83.4            1.8e+003     1000       
   Sediment  0.774           8.1e+003     0          
     Persistence Time: 978 hr