CAS Num: 078649-62-4
SMILES : CCCCC1OC2(CCCC2)OC1
CHEM   : 1,4-Dioxaspiro[4.4]nonane, 2-butyl-
MOL FOR: C11 H20 O2 
MOL WT : 184.28
------------------------------ 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) =  4.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  236.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  33.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0696  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.29  (Modified Grain method)
    Subcooled liquid VP: 0.0833 mm Hg (25 deg C, Mod-Grain method)
                       : 11.1 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  19.01
       log Kow used: 4.03 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  141.79 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.49E-005  atm-m3/mole  (9.61E+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:  8.878E-004 atm-m3/mole  (8.995E+001 Pa-m3/mole)
      VP:   0.0696 mm Hg (source: MPBPVP)
      WS:   19 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.03  (KowWin est)
  Log Kaw used:  -2.411  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.441
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1104
   Biowin2 (Non-Linear Model)     :   0.0017
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8608  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6780  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4942
   Biowin6 (MITI Non-Linear Model):   0.4382
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8926
 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):  11.1 Pa (0.0833 mm Hg)
  Log Koa (Koawin est  ): 6.441
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.7E-007 
       Octanol/air (Koa) model:  6.78E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.76E-006 
       Mackay model           :  2.16E-005 
       Octanol/air (Koa) model:  5.42E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.0409 E-12 cm3/molecule-sec
      Half-Life =     0.396 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.747 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.57E-005 (Junge-Pankow, Mackay avg)
      5.42E-005 (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    :  939.8  L/kg (Kow method)
      Log Koc:  2.973       (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 = 2.325 (BCF = 211.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3771 days (HL = 2.383 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.722 (BCF = 527.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.724 (BAF = 529.2)
       log Kow used: 4.03 (estimated)

 Volatilization from Water:
    Henry LC:  9.49E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       9.76  hours
    Half-Life from Model Lake :      220.3  hours   (9.179 days)

 Removal In Wastewater Treatment:
    Total removal:              34.08  percent
    Total biodegradation:        0.32  percent
    Total sludge adsorption:    30.58  percent
    Total to Air:                3.18  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.32            9.49         1000       
   Water     24.7            360          1000       
   Soil      73.8            720          1000       
   Sediment  0.187           3.24e+003    0          
     Persistence Time: 396 hr