CAS Num: 006413-26-9
SMILES : O(C(OC(C1)C)(CCCC2)C2)C1
CHEM   : 1,5-Dioxaspiro 5.5 undecane, 2-methyl-
MOL FOR: C10 H18 O2 
MOL WT : 170.25
------------------------------ 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) =  3.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  221.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  20.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.185  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  24.6  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  58.36
       log Kow used: 3.54 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1165.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.15E-005  atm-m3/mole  (7.24E+000 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:  7.101E-004 atm-m3/mole  (7.195E+001 Pa-m3/mole)
      VP:   0.185 mm Hg (source: MPBPVP)
      WS:   58.4 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.54  (KowWin est)
  Log Kaw used:  -2.534  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.074
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2122
   Biowin2 (Non-Linear Model)     :   0.0003
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5935  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4292  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4271
   Biowin6 (MITI Non-Linear Model):   0.3410
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8929
 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):  23.1 Pa (0.173 mm Hg)
  Log Koa (Koawin est  ): 6.074
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.3E-007 
       Octanol/air (Koa) model:  2.91E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.7E-006 
       Mackay model           :  1.04E-005 
       Octanol/air (Koa) model:  2.33E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  38.0327 E-12 cm3/molecule-sec
      Half-Life =     0.281 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.375 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.55E-006 (Junge-Pankow, Mackay avg)
      2.33E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  76.62  L/kg (MCI method)
      Log Koc:  1.884       (MCI method)
      Koc    :  503.5  L/kg (Kow method)
      Log Koc:  2.702       (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 = 2.001 (BCF = 100.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3480 days (HL = 2.228 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.419 (BCF = 262.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.420 (BAF = 262.9)
       log Kow used: 3.54 (estimated)

 Volatilization from Water:
    Henry LC:  7.15E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      12.02  hours
    Half-Life from Model Lake :      240.5  hours   (10.02 days)

 Removal In Wastewater Treatment:
    Total removal:              16.89  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    13.55  percent
    Total to Air:                3.15  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.663           6.75         1000       
   Water     24.9            900          1000       
   Soil      74.3            1.8e+003     1000       
   Sediment  0.139           8.1e+003     0          
     Persistence Time: 678 hr