CAS Num: 067674-36-6
SMILES : O(C(OCC)C=CCCC=CCC)CC
CHEM   : 2,6-Nonadiene, 1,1-diethoxy-, (E,Z)-
MOL FOR: C13 H24 O2 
MOL WT : 212.34
------------------------------ 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) =  4.21

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  262.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  10.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0237  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.16  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.542
       log Kow used: 4.21 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  55.465 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.65E-004  atm-m3/mole  (6.74E+001 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  6.939E-004 atm-m3/mole  (7.031E+001 Pa-m3/mole)
      VP:   0.0237 mm Hg (source: MPBPVP)
      WS:   9.54 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.21  (KowWin est)
  Log Kaw used:  -1.566  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.776
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0602
   Biowin2 (Non-Linear Model)     :   0.0066
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0109  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7910  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3058
   Biowin6 (MITI Non-Linear Model):   0.1682
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5649
 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):  3.17 Pa (0.0238 mm Hg)
  Log Koa (Koawin est  ): 5.776
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.45E-007 
       Octanol/air (Koa) model:  1.47E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.41E-005 
       Mackay model           :  7.56E-005 
       Octanol/air (Koa) model:  1.17E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 135.6461 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 150.8461 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.946 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.851 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    26.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    40.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.058 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     0.688 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      5.49E-005 (Junge-Pankow, Mackay avg)
      1.17E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  485.4  L/kg (MCI method)
      Log Koc:  2.686       (MCI method)
      Koc    :  1182  L/kg (Kow method)
      Log Koc:  3.073       (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 = 2.446 (BCF = 279.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2612 days (HL = 1.825 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.722 (BCF = 527.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.724 (BAF = 529.1)
       log Kow used: 4.21 (estimated)

 Volatilization from Water:
    Henry LC:  0.000665 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       2.77  hours
    Half-Life from Model Lake :      152.4  hours   (6.35 days)

 Removal In Wastewater Treatment:
    Total removal:              50.89  percent
    Total biodegradation:        0.35  percent
    Total sludge adsorption:    37.06  percent
    Total to Air:               13.49  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.147           0.679        1000       
   Water     20.5            360          1000       
   Soil      78.9            720          1000       
   Sediment  0.393           3.24e+003    0          
     Persistence Time: 348 hr