CAS Num: 026651-96-7
SMILES : O=C(C=CC=C(CCC=C(C)C)C)CC
CHEM   : 4,6,10-Dodecatrien-3-one, 7,11-dimethyl-
MOL FOR: C14 H22 O1 
MOL WT : 206.33
------------------------------ 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) =  4.92

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  282.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  16.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00871  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.16  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.536
       log Kow used: 4.92 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.8938 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 :   4.61E-004  atm-m3/mole  (4.67E+001 Pa-m3/mole)
   Group Method:   1.90E-005  atm-m3/mole  (1.92E+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:  9.324E-004 atm-m3/mole  (9.448E+001 Pa-m3/mole)
      VP:   0.00871 mm Hg (source: MPBPVP)
      WS:   2.54 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.92  (KowWin est)
  Log Kaw used:  -1.725  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.645
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6561
   Biowin2 (Non-Linear Model)     :   0.4075
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7207  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5278  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3907
   Biowin6 (MITI Non-Linear Model):   0.2465
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0902
 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):  1.16 Pa (0.00871 mm Hg)
  Log Koa (Koawin est  ): 6.645
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.58E-006 
       Octanol/air (Koa) model:  1.08E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.33E-005 
       Mackay model           :  0.000207 
       Octanol/air (Koa) model:  8.67E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 261.8365 E-12 cm3/molecule-sec
      Half-Life =     0.041 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    29.412 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    77.222504 E-17 cm3/molecule-sec
      Half-Life =     0.015 Days (at 7E11 mol/cm3)
      Half-Life =     21.370 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00015 (Junge-Pankow, Mackay avg)
      8.67E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1412  L/kg (MCI method)
      Log Koc:  3.150       (MCI method)
      Koc    :  6952  L/kg (Kow method)
      Log Koc:  3.842       (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 = 2.915 (BCF = 822.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7152 days (HL = 5.191 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.219 (BCF = 1657)
   Log BAF Arnot-Gobas method (upper trophic) = 3.262 (BAF = 1827)
       log Kow used: 4.92 (estimated)

 Volatilization from Water:
    Henry LC:  1.9E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      45.73  hours   (1.905 days)
    Half-Life from Model Lake :      619.3  hours   (25.8 days)

 Removal In Wastewater Treatment:
    Total removal:              75.10  percent
    Total biodegradation:        0.66  percent
    Total sludge adsorption:    74.23  percent
    Total to Air:                0.22  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0134          0.261        1000       
   Water     16.9            900          1000       
   Soil      81.8            1.8e+003     1000       
   Sediment  1.33            8.1e+003     0          
     Persistence Time: 1.03e+003 hr