CAS Number: 92080-89-2
SMILES : CCOC(C=C(C)CCC=C(C)C)OCC
CHEM   : 
MOL FOR: C14 H26 O2 
MOL WT : 226.36
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  4.82
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  269.69  (Adapted Stein & Brown method)
    Melting Pt (deg C):  4.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.016  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.13  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.454
       log Kow used: 4.82 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  46.374 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.23E-003  atm-m3/mole  (1.25E+002 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.942E-003 atm-m3/mole  (1.968E+002 Pa-m3/mole)
      VP:   0.016 mm Hg (source: MPBPVP)
      WS:   2.45 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.82  (KowWin est)
  Log Kaw used:  -1.299  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.119
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0549
   Biowin2 (Non-Linear Model)     :   0.0009
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6816  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5017  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2031
   Biowin6 (MITI Non-Linear Model):   0.0794
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2852
 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):  2.19 Pa (0.0164 mm Hg)
  Log Koa (Koawin est  ): 6.119
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.37E-006 
       Octanol/air (Koa) model:  3.23E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.96E-005 
       Mackay model           :  0.00011 
       Octanol/air (Koa) model:  2.58E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 195.9528 E-12 cm3/molecule-sec
      Half-Life =     0.055 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.655 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    86.000000 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     19.189 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      7.96E-005 (Junge-Pankow, Mackay avg)
      2.58E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  655  L/kg (MCI method)
      Log Koc:  2.816       (MCI method)
      Koc    :  2570  L/kg (Kow method)
      Log Koc:  3.410       (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 v3.01):
   Log BCF from regression-based method = 2.845 (BCF = 699.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6449 days (HL = 4.415 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.147 (BCF = 1403)
   Log BAF Arnot-Gobas method (upper trophic) = 3.172 (BAF = 1486)
       log Kow used: 4.82 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00123 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.251  hours
    Half-Life from Model Lake :      150.7  hours   (6.28 days)
 
 Removal In Wastewater Treatment:
    Total removal:              76.25  percent
    Total biodegradation:        0.54  percent
    Total sludge adsorption:    65.69  percent
    Total to Air:               10.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0441          0.257        1000       
   Water     15.9            900          1000       
   Soil      83.5            1.8e+003     1000       
   Sediment  0.572           8.1e+003     0          
     Persistence Time: 557 hr