CAS Num: 068133-72-2
SMILES : O=CCOCCC=CCC
CHEM   : Acetaldehyde, (3-hexenyloxy)-, (Z)-
MOL FOR: C8 H14 O2 
MOL WT : 142.20
------------------------------ 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) =  1.31

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  203.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -14.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.305  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  40.6  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6248
       log Kow used: 1.31 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  38410 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.04E-005  atm-m3/mole  (2.07E+000 Pa-m3/mole)
   Group Method:   2.50E-006  atm-m3/mole  (2.54E-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:  9.134E-006 atm-m3/mole  (9.255E-001 Pa-m3/mole)
      VP:   0.305 mm Hg (source: MPBPVP)
      WS:   6.25E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.31  (KowWin est)
  Log Kaw used:  -3.079  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.389
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7255
   Biowin2 (Non-Linear Model)     :   0.9986
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1969  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0985  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9124
   Biowin6 (MITI Non-Linear Model):   0.9454
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2610
 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):  37.2 Pa (0.279 mm Hg)
  Log Koa (Koawin est  ): 4.389
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.06E-008 
       Octanol/air (Koa) model:  6.01E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.91E-006 
       Mackay model           :  6.45E-006 
       Octanol/air (Koa) model:  4.81E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 131.1241 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 138.7241 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.979 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.925 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      4.68E-006 (Junge-Pankow, Mackay avg)
      4.81E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  21.37  L/kg (Kow method)
      Log Koc:  1.330       (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 = 0.531 (BCF = 3.394 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7025 days (HL = 0.1984 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.445 (BCF = 2.785)
   Log BAF Arnot-Gobas method (upper trophic) = 0.445 (BAF = 2.785)
       log Kow used: 1.31 (estimated)

 Volatilization from Water:
    Henry LC:  2.04E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      35.44  hours   (1.477 days)
    Half-Life from Model Lake :      486.6  hours   (20.28 days)

 Removal In Wastewater Treatment:
    Total removal:               3.03  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.82  percent
    Total to Air:                1.12  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.175           1.02         1000       
   Water     40.5            360          1000       
   Soil      59.2            720          1000       
   Sediment  0.0913          3.24e+003    0          
     Persistence Time: 337 hr