CAS Num: 093892-07-0
SMILES : CCCCOC(OCCCC)CCCCC
CHEM   : Hexane, 1,1-dibutoxy-
MOL FOR: C14 H30 O2 
MOL WT : 230.39
------------------------------ 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) =  5.13

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  268.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  23.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.017  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.27  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.25
       log Kow used: 5.13 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.5709 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.14E-003  atm-m3/mole  (1.16E+002 Pa-m3/mole)
   Group Method:   1.58E-003  atm-m3/mole  (1.60E+002 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:  4.123E-003 atm-m3/mole  (4.177E+002 Pa-m3/mole)
      VP:   0.017 mm Hg (source: MPBPVP)
      WS:   1.25 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.13  (KowWin est)
  Log Kaw used:  -1.332  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.462
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2684
   Biowin2 (Non-Linear Model)     :   0.1693
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5677  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3031  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4744
   Biowin6 (MITI Non-Linear Model):   0.4784
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7763
 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):  2.31 Pa (0.0173 mm Hg)
  Log Koa (Koawin est  ): 6.462
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.3E-006 
       Octanol/air (Koa) model:  7.11E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.7E-005 
       Mackay model           :  0.000104 
       Octanol/air (Koa) model:  5.69E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  38.9783 E-12 cm3/molecule-sec
      Half-Life =     0.274 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.293 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.55E-005 (Junge-Pankow, Mackay avg)
      5.69E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  884.6  L/kg (MCI method)
      Log Koc:  2.947       (MCI method)
      Koc    :  3815  L/kg (Kow method)
      Log Koc:  3.581       (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 = 1.680 (BCF = 47.85 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2918 days (HL = 1.958 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.876 (BCF = 751.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.888 (BAF = 772.1)
       log Kow used: 5.13 (estimated)

 Volatilization from Water:
    Henry LC:  0.00114 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.328  hours
    Half-Life from Model Lake :      152.7  hours   (6.361 days)

 Removal In Wastewater Treatment:
    Total removal:              83.48  percent
    Total biodegradation:        0.64  percent
    Total sludge adsorption:    77.30  percent
    Total to Air:                5.53  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.78            6.59         1000       
   Water     22.5            208          1000       
   Soil      75.2            416          1000       
   Sediment  0.498           1.87e+003    0          
     Persistence Time: 234 hr