CAS Number: 676125-00-1
SMILES : CC1(CC(C=C2C13CCC(C3)C2(C)C)OC)C
CHEM   : 
MOL FOR: C16 H26 O1 
MOL WT : 234.38
------------------------------ 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) =  4.94
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  270.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  68.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00596  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.795  (Modified Grain method)
    Subcooled liquid VP: 0.0154 mm Hg (25 deg C, Mod-Grain method)
                       : 2.06 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.742
       log Kow used: 4.94 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.7909 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 :   4.05E-003  atm-m3/mole  (4.11E+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:  1.055E-003 atm-m3/mole  (1.069E+002 Pa-m3/mole)
      VP:   0.00596 mm Hg (source: MPBPVP)
      WS:   1.74 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.94  (KowWin est)
  Log Kaw used:  -0.781  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.721
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2632
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0362  (months      )
   Biowin4 (Primary Survey Model) :   3.0395  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3312
   Biowin6 (MITI Non-Linear Model):   0.0880
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2964
 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):  2.05 Pa (0.0154 mm Hg)
  Log Koa (Koawin est  ): 5.721
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.46E-006 
       Octanol/air (Koa) model:  1.29E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.28E-005 
       Mackay model           :  0.000117 
       Octanol/air (Koa) model:  1.03E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 108.2338 E-12 cm3/molecule-sec
      Half-Life =     0.099 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.186 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      8.48E-005 (Junge-Pankow, Mackay avg)
      1.03E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  6482  L/kg (MCI method)
      Log Koc:  3.812       (MCI method)
      Koc    :  3689  L/kg (Kow method)
      Log Koc:  3.567       (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 = 2.926 (BCF = 843.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8438 days (HL = 6.979 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.317 (BCF = 2075)
   Log BAF Arnot-Gobas method (upper trophic) = 3.389 (BAF = 2449)
       log Kow used: 4.94 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00405 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.784  hours
    Half-Life from Model Lake :      147.8  hours   (6.159 days)
 
 Removal In Wastewater Treatment:
    Total removal:              84.46  percent
    Total biodegradation:        0.47  percent
    Total sludge adsorption:    64.67  percent
    Total to Air:               19.32  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.177           2.16         1000       
   Water     8.02            1.44e+003    1000       
   Soil      87.9            2.88e+003    1000       
   Sediment  3.88            1.3e+004     0          
     Persistence Time: 1.09e+003 hr