CAS Number: 233665-90-2
SMILES : CCCCCCOC(C)OCCC(C)C
CHEM   : 1-[1-(3-methylbutoxy)ethoxy]hexane
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) =  4.57
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  240.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  2.29  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0699  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  9.32  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.508
       log Kow used: 4.57 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  19.354 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:   1.34E-003  atm-m3/mole  (1.36E+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:  4.414E-003 atm-m3/mole  (4.473E+002 Pa-m3/mole)
      VP:   0.0699 mm Hg (source: MPBPVP)
      WS:   4.51 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.57  (KowWin est)
  Log Kaw used:  -1.454  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.024
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0582
   Biowin2 (Non-Linear Model)     :   0.0062
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0020  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7852  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3176
   Biowin6 (MITI Non-Linear Model):   0.2592
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4642
 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):  8.96 Pa (0.0672 mm Hg)
  Log Koa (Koawin est  ): 6.024
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.35E-007 
       Octanol/air (Koa) model:  2.59E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.21E-005 
       Mackay model           :  2.68E-005 
       Octanol/air (Koa) model:  2.08E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  36.1880 E-12 cm3/molecule-sec
      Half-Life =     0.296 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.547 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.94E-005 (Junge-Pankow, Mackay avg)
      2.08E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  390.1  L/kg (MCI method)
      Log Koc:  2.591       (MCI method)
      Koc    :  1869  L/kg (Kow method)
      Log Koc:  3.272       (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 = 1.307 (BCF = 20.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0673 days (HL = 1.168 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.638 (BCF = 434.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.639 (BAF = 435.4)
       log Kow used: 4.57 (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:              66.48  percent
    Total biodegradation:        0.47  percent
    Total sludge adsorption:    55.04  percent
    Total to Air:               10.96  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.61            7.09         1000       
   Water     21.7            360          1000       
   Soil      76.3            720          1000       
   Sediment  0.348           3.24e+003    0          
     Persistence Time: 322 hr