CAS Num: 064165-57-7
SMILES : O(CC(CCC=C1)(C1)CO2)C2CC
CHEM   : 2,4-Dioxaspiro 5.5 undec-8-ene, 3-ethyl-
MOL FOR: C11 H18 O2 
MOL WT : 182.26
------------------------------ 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) =  3.11

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  242.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  32.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0545  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.27  (Modified Grain method)
    Subcooled liquid VP: 0.0632 mm Hg (25 deg C, Mod-Grain method)
                       : 8.43 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  118.7
       log Kow used: 3.11 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  924.69 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.34E-005  atm-m3/mole  (8.45E+000 Pa-m3/mole)
   Group Method:   2.34E-006  atm-m3/mole  (2.37E-001 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:  1.101E-004 atm-m3/mole  (1.116E+001 Pa-m3/mole)
      VP:   0.0545 mm Hg (source: MPBPVP)
      WS:   119 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.11  (KowWin est)
  Log Kaw used:  -2.467  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.577
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2179
   Biowin2 (Non-Linear Model)     :   0.0003
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5669  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4119  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4137
   Biowin6 (MITI Non-Linear Model):   0.2705
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7739
 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):  8.43 Pa (0.0632 mm Hg)
  Log Koa (Koawin est  ): 5.577
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.56E-007 
       Octanol/air (Koa) model:  9.27E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.29E-005 
       Mackay model           :  2.85E-005 
       Octanol/air (Koa) model:  7.41E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  84.1759 E-12 cm3/molecule-sec
      Half-Life =     0.127 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.525 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec
      Half-Life =     0.057 Days (at 7E11 mol/cm3)
      Half-Life =      1.375 Hrs
   Fraction sorbed to airborne particulates (phi):
      2.07E-005 (Junge-Pankow, Mackay avg)
      7.41E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  146.2  L/kg (MCI method)
      Log Koc:  2.165       (MCI method)
      Koc    :  291.2  L/kg (Kow method)
      Log Koc:  2.464       (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 = 1.719 (BCF = 52.32 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2148 days (HL = 1.64 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.057 (BCF = 114.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.057 (BAF = 114.1)
       log Kow used: 3.11 (estimated)

 Volatilization from Water:
    Henry LC:  8.34E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      10.86  hours
    Half-Life from Model Lake :      231.6  hours   (9.651 days)

 Removal In Wastewater Treatment:
    Total removal:              10.53  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.46  percent
    Total to Air:                3.94  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0876          0.948        1000       
   Water     20.4            900          1000       
   Soil      79.3            1.8e+003     1000       
   Sediment  0.184           8.1e+003     0          
     Persistence Time: 760 hr