CAS Num: 041847-86-3
SMILES : O(CCC(CCC=C(C)C)C)CC(OC)OC
CHEM   : 2-Octene, 8-(2,2-dimethoxyethoxy)-2,6-dimethyl-
MOL FOR: C14 H28 O3 
MOL WT : 244.38
------------------------------ 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) =  3.64

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  276.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  19.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0114  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.52  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  19.6
       log Kow used: 3.64 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  434.31 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.05E-005  atm-m3/mole  (1.06E+000 Pa-m3/mole)
   Group Method:   5.11E-007  atm-m3/mole  (5.18E-002 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:  1.870E-004 atm-m3/mole  (1.895E+001 Pa-m3/mole)
      VP:   0.0114 mm Hg (source: MPBPVP)
      WS:   19.6 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.64  (KowWin est)
  Log Kaw used:  -3.367  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.007
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.4109
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6331  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4659  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1435
   Biowin6 (MITI Non-Linear Model):   0.0586
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6088
 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):  1.57 Pa (0.0118 mm Hg)
  Log Koa (Koawin est  ): 7.007
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.91E-006 
       Octanol/air (Koa) model:  2.49E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.89E-005 
       Mackay model           :  0.000153 
       Octanol/air (Koa) model:  0.0002 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 121.2654 E-12 cm3/molecule-sec
      Half-Life =     0.088 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.058 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000111 (Junge-Pankow, Mackay avg)
      0.0002 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  160.4  L/kg (MCI method)
      Log Koc:  2.205       (MCI method)
      Koc    :  464.2  L/kg (Kow method)
      Log Koc:  2.667       (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 = 2.072 (BCF = 118 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0272 days (HL = 0.9394 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.330 (BCF = 213.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.330 (BAF = 213.8)
       log Kow used: 3.64 (estimated)

 Volatilization from Water:
    Henry LC:  1.05E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      88.76  hours   (3.698 days)
    Half-Life from Model Lake :       1099  hours   (45.81 days)

 Removal In Wastewater Treatment:
    Total removal:              17.08  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    16.37  percent
    Total to Air:                0.49  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0284          0.491        1000       
   Water     21.9            900          1000       
   Soil      77.8            1.8e+003     1000       
   Sediment  0.213           8.1e+003     0          
     Persistence Time: 916 hr