CAS Num: 021662-16-8
SMILES : O=CC=CC=CCCCCCCC
CHEM   : 2,4-Dodecadienal, (E,E)-
MOL FOR: C12 H20 O1 
MOL WT : 180.29
------------------------------ 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) =  4.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  263.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  11.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0134  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.79  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  11.33
       log Kow used: 4.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  40.709 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 :   3.88E-004  atm-m3/mole  (3.93E+001 Pa-m3/mole)
   Group Method:   7.92E-005  atm-m3/mole  (8.02E+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:  2.806E-004 atm-m3/mole  (2.843E+001 Pa-m3/mole)
      VP:   0.0134 mm Hg (source: MPBPVP)
      WS:   11.3 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.32  (KowWin est)
  Log Kaw used:  -1.800  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.120
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0548
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1214  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0533  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9088
   Biowin6 (MITI Non-Linear Model):   0.9413
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4232
 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):  1.8 Pa (0.0135 mm Hg)
  Log Koa (Koawin est  ): 6.120
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.67E-006 
       Octanol/air (Koa) model:  3.24E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.02E-005 
       Mackay model           :  0.000133 
       Octanol/air (Koa) model:  2.59E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  73.2751 E-12 cm3/molecule-sec
      Half-Life =     0.146 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.752 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.842400 E-17 cm3/molecule-sec
      Half-Life =     1.360 Days (at 7E11 mol/cm3)
      Half-Life =     32.650 Hrs
   Fraction sorbed to airborne particulates (phi):
      9.68E-005 (Junge-Pankow, Mackay avg)
      2.59E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  218.2  L/kg (MCI method)
      Log Koc:  2.339       (MCI method)
      Koc    :  1217  L/kg (Kow method)
      Log Koc:  3.085       (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 = 2.514 (BCF = 326.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3930 days (HL = 2.472 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.842 (BCF = 695.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.845 (BAF = 700.1)
       log Kow used: 4.32 (estimated)

 Volatilization from Water:
    Henry LC:  7.92E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       11.3  hours
    Half-Life from Model Lake :      235.8  hours   (9.826 days)

 Removal In Wastewater Treatment:
    Total removal:              47.84  percent
    Total biodegradation:        0.44  percent
    Total sludge adsorption:    45.33  percent
    Total to Air:                2.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.439           3.16         1000       
   Water     23.9            360          1000       
   Soil      75.4            720          1000       
   Sediment  0.243           3.24e+003    0          
     Persistence Time: 411 hr