CAS Number: 13112-65-7
SMILES : CCCCOC(CCCC)OCCCC
CHEM   : 1,1-dibutoxypentane
MOL FOR: C13 H28 O2 
MOL WT : 216.37
------------------------------ 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) =  4.64
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  251.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0407  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.43  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.902
       log Kow used: 4.64 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.548 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.60E-004  atm-m3/mole  (8.71E+001 Pa-m3/mole)
   Group Method:   1.12E-003  atm-m3/mole  (1.13E+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:  2.970E-003 atm-m3/mole  (3.009E+002 Pa-m3/mole)
      VP:   0.0407 mm Hg (source: MPBPVP)
      WS:   3.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.64  (KowWin est)
  Log Kaw used:  -1.454  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.094
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2751
   Biowin2 (Non-Linear Model)     :   0.1992
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5987  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3233  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4667
   Biowin6 (MITI Non-Linear Model):   0.4723
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8023
 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):  5.33 Pa (0.04 mm Hg)
  Log Koa (Koawin est  ): 6.094
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.63E-007 
       Octanol/air (Koa) model:  3.05E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.03E-005 
       Mackay model           :  4.5E-005 
       Octanol/air (Koa) model:  2.44E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  37.5652 E-12 cm3/molecule-sec
      Half-Life =     0.285 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.417 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.27E-005 (Junge-Pankow, Mackay avg)
      2.44E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  485.4  L/kg (MCI method)
      Log Koc:  2.686       (MCI method)
      Koc    :  2044  L/kg (Kow method)
      Log Koc:  3.310       (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 = 1.356 (BCF = 22.69 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1526 days (HL = 1.421 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.720 (BCF = 524.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.722 (BAF = 527.1)
       log Kow used: 4.64 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00086 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.502  hours
    Half-Life from Model Lake :      150.6  hours   (6.277 days)
 
 Removal In Wastewater Treatment:
    Total removal:              69.01  percent
    Total biodegradation:        0.50  percent
    Total sludge adsorption:    58.54  percent
    Total to Air:                9.96  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.93            6.83         1000       
   Water     23.7            208          1000       
   Soil      74.1            416          1000       
   Sediment  0.337           1.87e+003    0          
     Persistence Time: 227 hr