CAS Num: 071078-31-4
SMILES : O(C(C(=CCC1C)C)(C=C2)C1C)C2C
CHEM   : 1-Oxaspiro[4.5]deca-3,6-diene, 2,6,9,10-tetramethyl-
MOL FOR: C13 H20 O1 
MOL WT : 192.30
------------------------------ 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) =  4.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  244.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  34.88  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0471  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.28  (Modified Grain method)
    Subcooled liquid VP: 0.0578 mm Hg (25 deg C, Mod-Grain method)
                       : 7.7 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.365
       log Kow used: 4.54 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  37.201 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 :   3.45E-003  atm-m3/mole  (3.50E+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:  1.872E-003 atm-m3/mole  (1.897E+002 Pa-m3/mole)
      VP:   0.0471 mm Hg (source: MPBPVP)
      WS:   6.37 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.54  (KowWin est)
  Log Kaw used:  -0.851  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.391
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1247
   Biowin2 (Non-Linear Model)     :   0.0076
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5534  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4071  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2864
   Biowin6 (MITI Non-Linear Model):   0.0616
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2959
 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):  7.71 Pa (0.0578 mm Hg)
  Log Koa (Koawin est  ): 5.391
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.89E-007 
       Octanol/air (Koa) model:  6.04E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.41E-005 
       Mackay model           :  3.11E-005 
       Octanol/air (Koa) model:  4.83E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 163.9471 E-12 cm3/molecule-sec
      Half-Life =     0.065 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.783 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     8.531250 E-17 cm3/molecule-sec
      Half-Life =     0.134 Days (at 7E11 mol/cm3)
      Half-Life =      3.224 Hrs
   Fraction sorbed to airborne particulates (phi):
      2.26E-005 (Junge-Pankow, Mackay avg)
      4.83E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1406  L/kg (MCI method)
      Log Koc:  3.148       (MCI method)
      Koc    :  2217  L/kg (Kow method)
      Log Koc:  3.346       (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 = 2.662 (BCF = 459 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1018 days (HL = 12.64 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.310 (BCF = 2042)
   Log BAF Arnot-Gobas method (upper trophic) = 3.387 (BAF = 2436)
       log Kow used: 4.54 (estimated)

 Volatilization from Water:
    Henry LC:  0.00345 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.65  hours
    Half-Life from Model Lake :      134.3  hours   (5.595 days)

 Removal In Wastewater Treatment:
    Total removal:              76.49  percent
    Total biodegradation:        0.35  percent
    Total sludge adsorption:    47.46  percent
    Total to Air:               28.68  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.207           1.05         1000       
   Water     16.3            900          1000       
   Soil      82.2            1.8e+003     1000       
   Sediment  1.28            8.1e+003     0          
     Persistence Time: 503 hr