CAS Num: 079893-63-3
SMILES : CCC2=CCCC(C21OC(C)C=C1)(C)C
CHEM   : 1-Oxaspiro[4.5]deca-3,6-diene, 6-ethyl-2,10,10-trimethyl-
MOL FOR: C14 H22 O1 
MOL WT : 206.33
------------------------------ 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) =  5.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  257.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  51.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0173  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.31  (Modified Grain method)
    Subcooled liquid VP: 0.0301 mm Hg (25 deg C, Mod-Grain method)
                       : 4.02 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.915
       log Kow used: 5.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16.329 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 :   4.59E-003  atm-m3/mole  (4.65E+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:  2.453E-003 atm-m3/mole  (2.485E+002 Pa-m3/mole)
      VP:   0.0173 mm Hg (source: MPBPVP)
      WS:   1.92 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.07  (KowWin est)
  Log Kaw used:  -0.727  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.797
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0659
   Biowin2 (Non-Linear Model)     :   0.0011
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3103  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2334  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3565
   Biowin6 (MITI Non-Linear Model):   0.1414
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8031
 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):  4.01 Pa (0.0301 mm Hg)
  Log Koa (Koawin est  ): 5.797
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.48E-007 
       Octanol/air (Koa) model:  1.54E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.7E-005 
       Mackay model           :  5.98E-005 
       Octanol/air (Koa) model:  1.23E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 155.0388 E-12 cm3/molecule-sec
      Half-Life =     0.069 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.828 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):
      4.34E-005 (Junge-Pankow, Mackay avg)
      1.23E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2433  L/kg (MCI method)
      Log Koc:  3.386       (MCI method)
      Koc    :  4354  L/kg (Kow method)
      Log Koc:  3.639       (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 = 3.009 (BCF = 1022 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0246 days (HL = 10.58 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.468 (BCF = 2939)
   Log BAF Arnot-Gobas method (upper trophic) = 3.640 (BAF = 4370)
       log Kow used: 5.07 (estimated)

 Volatilization from Water:
    Henry LC:  0.00459 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.649  hours
    Half-Life from Model Lake :      138.4  hours   (5.768 days)

 Removal In Wastewater Treatment:
    Total removal:              86.72  percent
    Total biodegradation:        0.50  percent
    Total sludge adsorption:    68.84  percent
    Total to Air:               17.38  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.186           1.09         1000       
   Water     14.4            900          1000       
   Soil      83.4            1.8e+003     1000       
   Sediment  1.98            8.1e+003     0          
     Persistence Time: 564 hr