CAS Number: 5421-99-8
SMILES : O(C(OCC1(C)C)(CCC)C)C1
CHEM   : m-Dioxane, 2,5,5-trimethyl-2-propyl-
MOL FOR: C10 H20 O2 
MOL WT : 172.27
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  3.61
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  198.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  17.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.554  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  73.8  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  49.28
       log Kow used: 3.61 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  435.78 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.62E-004  atm-m3/mole  (1.64E+001 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:  2.548E-003 atm-m3/mole  (2.582E+002 Pa-m3/mole)
      VP:   0.554 mm Hg (source: MPBPVP)
      WS:   49.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.61  (KowWin est)
  Log Kaw used:  -2.179  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.789
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3970
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3769  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2728  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4777
   Biowin6 (MITI Non-Linear Model):   0.3884
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8532
 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):  67.9 Pa (0.509 mm Hg)
  Log Koa (Koawin est  ): 5.789
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.42E-008 
       Octanol/air (Koa) model:  1.51E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.6E-006 
       Mackay model           :  3.54E-006 
       Octanol/air (Koa) model:  1.21E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.1631 E-12 cm3/molecule-sec
      Half-Life =     0.530 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.366 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.57E-006 (Junge-Pankow, Mackay avg)
      1.21E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  51.36  L/kg (MCI method)
      Log Koc:  1.711       (MCI method)
      Koc    :  550.4  L/kg (Kow method)
      Log Koc:  2.741       (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 v3.01):
   Log BCF from regression-based method = 2.051 (BCF = 112.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2905 days (HL = 0.5123 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.158 (BCF = 144)
   Log BAF Arnot-Gobas method (upper trophic) = 2.158 (BAF = 144)
       log Kow used: 3.61 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000162 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      6.083  hours
    Half-Life from Model Lake :      176.4  hours   (7.351 days)
 
 Removal In Wastewater Treatment:
    Total removal:              21.55  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    15.06  percent
    Total to Air:                6.29  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.01            12.7         1000       
   Water     29.3            900          1000       
   Soil      68.6            1.8e+003     1000       
   Sediment  0.128           8.1e+003     0          
     Persistence Time: 481 hr