CAS Number: 9003-96-7
SMILES : CCCCCCCCCCCCCCCCCCOC=C
CHEM   : 
MOL FOR: C20 H40 O1 
MOL WT : 296.54
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  8.77
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  345.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  75.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000312  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0416  (Modified Grain method)
    MP  (exp database):  30 deg C
    Subcooled liquid VP: 0.000346 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0461 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0004162
       log Kow used: 8.77 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00050329 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.08E-001  atm-m3/mole  (7.18E+004 Pa-m3/mole)
   Group Method:   1.41E+000  atm-m3/mole  (1.43E+005 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:  2.925E-001 atm-m3/mole  (2.964E+004 Pa-m3/mole)
      VP:   0.000312 mm Hg (source: MPBPVP)
      WS:   0.000416 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.77  (KowWin est)
  Log Kaw used:  1.462  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.308
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3674
   Biowin2 (Non-Linear Model)     :   0.0580
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8335  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6792  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6905
   Biowin6 (MITI Non-Linear Model):   0.7797
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4028
 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):  0.0461 Pa (0.000346 mm Hg)
  Log Koa (Koawin est  ): 7.308
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.5E-005 
       Octanol/air (Koa) model:  4.99E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00234 
       Mackay model           :  0.00518 
       Octanol/air (Koa) model:  0.000399 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  66.3175 E-12 cm3/molecule-sec
      Half-Life =     0.161 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.935 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.875000 E-17 cm3/molecule-sec
      Half-Life =     1.310 Days (at 7E11 mol/cm3)
      Half-Life =     31.433 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00376 (Junge-Pankow, Mackay avg)
      0.000399 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.436E+005  L/kg (MCI method)
      Log Koc:  5.157       (MCI method)
      Koc    :  4.847E+005  L/kg (Kow method)
      Log Koc:  5.685       (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 = 2.660 (BCF = 457.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.3617 days (HL = 23 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.863 (BCF = 72.94)
   Log BAF Arnot-Gobas method (upper trophic) = 4.561 (BAF = 3.638e+004)
       log Kow used: 8.77 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.41 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.758  hours
    Half-Life from Model Lake :      163.6  hours   (6.815 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.29  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    91.83  percent
    Total to Air:                1.70  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.03            3.45         1000       
   Water     43.1            360          1000       
   Soil      49.9            720          1000       
   Sediment  5.97            3.24e+003    0          
     Persistence Time: 255 hr