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CAS Num: 002548-87-0
SMILES : O=CC=CCCCCC
CHEM   : 2-Octenal, (E)-
MOL FOR: C8 H14 O1 
MOL WT : 126.20
------------------------------ 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) =  2.57

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  182.37  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -31.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.86  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  115  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  612.7
       log Kow used: 2.57 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1811.4 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 :   1.74E-004  atm-m3/mole  (1.76E+001 Pa-m3/mole)
   Group Method:   9.09E-005  atm-m3/mole  (9.21E+000 Pa-m3/mole)
   Exper Database: 7.34E-05  atm-m3/mole  (7.44E+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:  2.331E-004 atm-m3/mole  (2.362E+001 Pa-m3/mole)
      VP:   0.86 mm Hg (source: MPBPVP)
      WS:   613 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.57  (KowWin est)
  Log Kaw used:  -2.523  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.093
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0805
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2409  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1314  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9585
   Biowin6 (MITI Non-Linear Model):   0.9683
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5183
 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):  104 Pa (0.782 mm Hg)
  Log Koa (Koawin est  ): 5.093
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.88E-008 
       Octanol/air (Koa) model:  3.04E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.04E-006 
       Mackay model           :  2.3E-006 
       Octanol/air (Koa) model:  2.43E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  41.3450 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  43.9290 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    3.104 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    2.922 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):
      1.67E-006 (Junge-Pankow, Mackay avg)
      2.43E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  19.78  L/kg (MCI method)
      Log Koc:  1.296       (MCI method)
      Koc    :  131  L/kg (Kow method)
      Log Koc:  2.117       (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 = 1.360 (BCF = 22.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2520 days (HL = 0.5598 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.524 (BCF = 33.41)
   Log BAF Arnot-Gobas method (upper trophic) = 1.524 (BAF = 33.41)
       log Kow used: 2.57 (estimated)

 Volatilization from Water:
    Henry LC:  7.34E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      10.11  hours
    Half-Life from Model Lake :      204.5  hours   (8.519 days)

 Removal In Wastewater Treatment:
    Total removal:               6.88  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.13  percent
    Total to Air:                3.65  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.26            6.08         1000       
   Water     36.6            360          1000       
   Soil      62.1            720          1000       
   Sediment  0.0973          3.24e+003    0          
     Persistence Time: 310 hr