CAS Num: 003583-00-4
SMILES : O(CC(C(O1)C(C)C)(C)C)C1
CHEM   : 1,3-Dioxane, 5,5-dimethyl-4-(1-methylethyl)-
MOL FOR: C9 H18 O2 
MOL WT : 158.24
------------------------------ 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) =  2.38

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  176.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -13.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.55  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  206  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  645.3
       log Kow used: 2.38 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4688.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.22E-004  atm-m3/mole  (1.24E+001 Pa-m3/mole)
   Group Method:   4.06E-004  atm-m3/mole  (4.11E+001 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:  5.001E-004 atm-m3/mole  (5.067E+001 Pa-m3/mole)
      VP:   1.55 mm Hg (source: MPBPVP)
      WS:   645 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.38  (KowWin est)
  Log Kaw used:  -2.302  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.682
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2064
   Biowin2 (Non-Linear Model)     :   0.0004
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6200  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4465  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3148
   Biowin6 (MITI Non-Linear Model):   0.1771
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6974
 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):  188 Pa (1.41 mm Hg)
  Log Koa (Koawin est  ): 4.682
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.6E-008 
       Octanol/air (Koa) model:  1.18E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.76E-007 
       Mackay model           :  1.28E-006 
       Octanol/air (Koa) model:  9.44E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.3852 E-12 cm3/molecule-sec
      Half-Life =     0.341 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.090 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.26E-007 (Junge-Pankow, Mackay avg)
      9.44E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  30.42  L/kg (MCI method)
      Log Koc:  1.483       (MCI method)
      Koc    :  114.9  L/kg (Kow method)
      Log Koc:  2.060       (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 = 1.238 (BCF = 17.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5616 days (HL = 0.2744 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.312 (BCF = 20.52)
   Log BAF Arnot-Gobas method (upper trophic) = 1.312 (BAF = 20.52)
       log Kow used: 2.38 (estimated)

 Volatilization from Water:
    Henry LC:  0.000122 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      7.321  hours
    Half-Life from Model Lake :      185.3  hours   (7.722 days)

 Removal In Wastewater Treatment:
    Total removal:               8.43  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.58  percent
    Total to Air:                5.75  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.44            8.18         1000       
   Water     34.5            900          1000       
   Soil      63.9            1.8e+003     1000       
   Sediment  0.116           8.1e+003     0          
     Persistence Time: 451 hr