CAS Num: 055444-65-0
SMILES : O(C(OC)CC=CCC)C
CHEM   : 3-Hexene, 1,1-dimethoxy-, (Z)-
MOL FOR: C8 H16 O2 
MOL WT : 144.22
------------------------------ 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) =  1.97

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  159.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -44.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.3  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  440  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1663
       log Kow used: 1.97 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8246.5 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.83E-004  atm-m3/mole  (1.86E+001 Pa-m3/mole)
   Group Method:   5.73E-005  atm-m3/mole  (5.81E+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:  3.766E-004 atm-m3/mole  (3.815E+001 Pa-m3/mole)
      VP:   3.3 mm Hg (source: MPBPVP)
      WS:   1.66E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.97  (KowWin est)
  Log Kaw used:  -2.126  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.096
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0926
   Biowin2 (Non-Linear Model)     :   0.0171
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1615  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8893  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3478
   Biowin6 (MITI Non-Linear Model):   0.2734
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4958
 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):  403 Pa (3.02 mm Hg)
  Log Koa (Koawin est  ): 4.096
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.45E-009 
       Octanol/air (Koa) model:  3.06E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.69E-007 
       Mackay model           :  5.96E-007 
       Octanol/air (Koa) model:  2.45E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  69.0428 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  76.6428 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.859 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.675 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):
      4.33E-007 (Junge-Pankow, Mackay avg)
      2.45E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  24.15  L/kg (MCI method)
      Log Koc:  1.383       (MCI method)
      Koc    :  68.17  L/kg (Kow method)
      Log Koc:  1.834       (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 = 0.968 (BCF = 9.294 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5230 days (HL = 0.2999 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.979 (BCF = 9.527)
   Log BAF Arnot-Gobas method (upper trophic) = 0.979 (BAF = 9.527)
       log Kow used: 1.97 (estimated)

 Volatilization from Water:
    Henry LC:  0.000183 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      5.068  hours
    Half-Life from Model Lake :        156  hours   (6.499 days)

 Removal In Wastewater Treatment:
    Total removal:              10.24  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.99  percent
    Total to Air:                8.16  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.437           1.35         1000       
   Water     37.7            360          1000       
   Soil      61.8            720          1000       
   Sediment  0.107           3.24e+003    0          
     Persistence Time: 251 hr