CAS Num: 097358-54-8
SMILES : CCC=CCCOC(CC)OC
CHEM   : 3-Hexene, 1-(1-methoxypropoxy)-, (E)-
MOL FOR: C10 H20 O2 
MOL WT : 172.27
------------------------------ 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) =  2.95

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  201.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -21.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.484  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  64.5  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  179.9
       log Kow used: 2.95 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  830.67 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.23E-004  atm-m3/mole  (3.28E+001 Pa-m3/mole)
   Group Method:   1.09E-004  atm-m3/mole  (1.11E+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:  6.098E-004 atm-m3/mole  (6.179E+001 Pa-m3/mole)
      VP:   0.484 mm Hg (source: MPBPVP)
      WS:   180 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.95  (KowWin est)
  Log Kaw used:  -1.879  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.829
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0792
   Biowin2 (Non-Linear Model)     :   0.0115
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0995  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8488  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3632
   Biowin6 (MITI Non-Linear Model):   0.2833
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4438
 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):  59.3 Pa (0.445 mm Hg)
  Log Koa (Koawin est  ): 4.829
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.06E-008 
       Octanol/air (Koa) model:  1.66E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.83E-006 
       Mackay model           :  4.04E-006 
       Octanol/air (Koa) model:  1.32E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  78.6573 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  86.2573 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.632 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.488 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):
      2.94E-006 (Junge-Pankow, Mackay avg)
      1.32E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  80.2  L/kg (MCI method)
      Log Koc:  1.904       (MCI method)
      Koc    :  237.5  L/kg (Kow method)
      Log Koc:  2.376       (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 = 1.616 (BCF = 41.33 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2447 days (HL = 0.5693 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.830 (BCF = 67.65)
   Log BAF Arnot-Gobas method (upper trophic) = 1.830 (BAF = 67.65)
       log Kow used: 2.95 (estimated)

 Volatilization from Water:
    Henry LC:  0.000323 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.718  hours
    Half-Life from Model Lake :      150.6  hours   (6.276 days)

 Removal In Wastewater Treatment:
    Total removal:              17.36  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.78  percent
    Total to Air:               12.47  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.37            1.28         1000       
   Water     29.1            360          1000       
   Soil      70.3            720          1000       
   Sediment  0.148           3.24e+003    0          
     Persistence Time: 281 hr