CAS Number: 65620-50-0
SMILES : CC1CCC2(O1)C(CCCC2(C)O)(C)C
CHEM   : 2,6,6,10-tetramethyl-4-oxaspiro[4.5]decan-10-ol
MOL FOR: C13 H24 O2 
MOL WT : 212.34
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.37
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  273.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  68.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000288  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0383  (Modified Grain method)
    Subcooled liquid VP: 0.000735 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0979 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  161
       log Kow used: 3.37 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1787.5 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.74E-008  atm-m3/mole  (1.76E-003 Pa-m3/mole)
   Group Method:   7.05E-009  atm-m3/mole  (7.15E-004 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:  4.998E-007 atm-m3/mole  (5.064E-002 Pa-m3/mole)
      VP:   0.000288 mm Hg (source: MPBPVP)
      WS:   161 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.37  (KowWin est)
  Log Kaw used:  -6.148  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.518
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2527
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0849  (months      )
   Biowin4 (Primary Survey Model) :   3.0713  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3975
   Biowin6 (MITI Non-Linear Model):   0.2004
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.3028
 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):  0.098 Pa (0.000735 mm Hg)
  Log Koa (Koawin est  ): 9.518
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.06E-005 
       Octanol/air (Koa) model:  0.000809 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0011 
       Mackay model           :  0.00244 
       Octanol/air (Koa) model:  0.0608 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.1437 E-12 cm3/molecule-sec
      Half-Life =     0.506 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.070 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00177 (Junge-Pankow, Mackay avg)
      0.0608 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  91.06  L/kg (MCI method)
      Log Koc:  1.959       (MCI method)
      Koc    :  193.7  L/kg (Kow method)
      Log Koc:  2.287       (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 = 1.892 (BCF = 78.04 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1584 days (HL = 1.44 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.247 (BCF = 176.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.247 (BAF = 176.7)
       log Kow used: 3.37 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.74E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.903E+004  hours   (2043 days)
    Half-Life from Model Lake :  5.35E+005  hours   (2.229E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:              10.40  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    10.23  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0844          12.1         1000       
   Water     18.1            1.44e+003    1000       
   Soil      81.7            2.88e+003    1000       
   Sediment  0.118           1.3e+004     0          
     Persistence Time: 1.92e+003 hr