CAS Number: 63187-91-7
SMILES : CC1CCC(C2(C1)OCC(O2)CO)C(C)C
CHEM   : (9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-2-yl)methanol
MOL FOR: C13 H24 O3 
MOL WT : 228.33
------------------------------ 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) =  4.18
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  311.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  83.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.79E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00238  (Modified Grain method)
    Subcooled liquid VP: 6.52E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00869 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  27.28
       log Kow used: 4.18 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1053.8 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.11E-009  atm-m3/mole  (6.19E-004 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:  1.971E-007 atm-m3/mole  (1.997E-002 Pa-m3/mole)
      VP:   1.79E-005 mm Hg (source: MPBPVP)
      WS:   27.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.18  (KowWin est)
  Log Kaw used:  -6.602  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.782
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0811
   Biowin2 (Non-Linear Model)     :   0.0005
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6251  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4748  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3808
   Biowin6 (MITI Non-Linear Model):   0.1266
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6202
 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):  0.00869 Pa (6.52E-005 mm Hg)
  Log Koa (Koawin est  ): 10.782
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000345 
       Octanol/air (Koa) model:  0.0149 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0123 
       Mackay model           :  0.0269 
       Octanol/air (Koa) model:  0.543 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  43.0468 E-12 cm3/molecule-sec
      Half-Life =     0.248 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.982 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0196 (Junge-Pankow, Mackay avg)
      0.543 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  30.59  L/kg (MCI method)
      Log Koc:  1.486       (MCI method)
      Koc    :  441.1  L/kg (Kow method)
      Log Koc:  2.645       (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 = 2.422 (BCF = 264.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3932 days (HL = 2.473 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.794 (BCF = 621.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.796 (BAF = 624.8)
       log Kow used: 4.18 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.11E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.448E+005  hours   (6033 days)
    Half-Life from Model Lake :  1.58E+006  hours   (6.582E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:              38.89  percent
    Total biodegradation:        0.39  percent
    Total sludge adsorption:    38.50  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       0.0527          5.96         1000       
   Water     26.6            900          1000       
   Soil      73.2            1.8e+003     1000       
   Sediment  0.0895          8.1e+003     0          
     Persistence Time: 1.22e+003 hr