CAS Num: 004826-62-4
SMILES : O=CC=CCCCCCCCCC
CHEM   : 2-Dodecenal
MOL FOR: C12 H22 O1 
MOL WT : 182.31
------------------------------ 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) =  4.53

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  257.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0178  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.37  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.259
       log Kow used: 4.53 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18.607 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 :   5.41E-004  atm-m3/mole  (5.48E+001 Pa-m3/mole)
   Group Method:   3.62E-004  atm-m3/mole  (3.67E+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:  5.882E-004 atm-m3/mole  (5.960E+001 Pa-m3/mole)
      VP:   0.0178 mm Hg (source: MPBPVP)
      WS:   7.26 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.53  (KowWin est)
  Log Kaw used:  -1.655  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.185
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0538
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1170  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0504  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9893
   Biowin6 (MITI Non-Linear Model):   0.9712
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6222
 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):  2.36 Pa (0.0177 mm Hg)
  Log Koa (Koawin est  ): 6.185
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.27E-006 
       Octanol/air (Koa) model:  3.76E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.59E-005 
       Mackay model           :  0.000102 
       Octanol/air (Koa) model:  3.01E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  46.9972 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  49.5812 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.731 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    2.589 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.091000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.182000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    12.593 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     6.297 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      7.38E-005 (Junge-Pankow, Mackay avg)
      3.01E-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    :  1590  L/kg (Kow method)
      Log Koc:  3.201       (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 = 1.282 (BCF = 19.13 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3046 days (HL = 2.017 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.831 (BCF = 676.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.834 (BAF = 681.7)
       log Kow used: 4.53 (estimated)

 Volatilization from Water:
    Henry LC:  0.000362 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      3.562  hours
    Half-Life from Model Lake :      152.1  hours   (6.336 days)

 Removal In Wastewater Treatment:
    Total removal:              61.33  percent
    Total biodegradation:        0.50  percent
    Total sludge adsorption:    54.97  percent
    Total to Air:                5.85  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.09            5.37         1000       
   Water     22.8            360          1000       
   Soil      75.8            720          1000       
   Sediment  0.232           3.24e+003    0          
     Persistence Time: 343 hr