CAS Num: 064577-91-9
SMILES : O(C(OCCc(cccc1)c1)C)CCCC
CHEM   : Benzene, [2-(1-butoxyethoxy)ethyl]-
MOL FOR: C14 H22 O2 
MOL WT : 222.33
------------------------------ 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) =  3.89

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  288.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  42.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00249  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.331  (Modified Grain method)
    Subcooled liquid VP: 0.00359 mm Hg (25 deg C, Mod-Grain method)
                       : 0.478 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  15.78
       log Kow used: 3.89 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  21.106 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.68E-005  atm-m3/mole  (1.71E+000 Pa-m3/mole)
   Group Method:   4.15E-006  atm-m3/mole  (4.21E-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:  4.616E-005 atm-m3/mole  (4.677E+000 Pa-m3/mole)
      VP:   0.00249 mm Hg (source: MPBPVP)
      WS:   15.8 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.89  (KowWin est)
  Log Kaw used:  -3.163  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.053
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2382
   Biowin2 (Non-Linear Model)     :   0.0580
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9360  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7129  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1869
   Biowin6 (MITI Non-Linear Model):   0.1220
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5979
 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):  0.479 Pa (0.00359 mm Hg)
  Log Koa (Koawin est  ): 7.053
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.27E-006 
       Octanol/air (Koa) model:  2.77E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000226 
       Mackay model           :  0.000501 
       Octanol/air (Koa) model:  0.000222 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  34.7343 E-12 cm3/molecule-sec
      Half-Life =     0.308 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.695 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000364 (Junge-Pankow, Mackay avg)
      0.000222 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  863.3  L/kg (MCI method)
      Log Koc:  2.936       (MCI method)
      Koc    :  786.3  L/kg (Kow method)
      Log Koc:  2.896       (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 = 2.237 (BCF = 172.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3842 days (HL = 0.4128 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.160 (BCF = 144.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.160 (BAF = 144.5)
       log Kow used: 3.89 (estimated)

 Volatilization from Water:
    Henry LC:  1.68E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      53.49  hours   (2.229 days)
    Half-Life from Model Lake :      708.5  hours   (29.52 days)

 Removal In Wastewater Treatment:
    Total removal:              25.90  percent
    Total biodegradation:        0.28  percent
    Total sludge adsorption:    24.93  percent
    Total to Air:                0.69  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.739           7.39         1000       
   Water     24              360          1000       
   Soil      74.5            720          1000       
   Sediment  0.746           3.24e+003    0          
     Persistence Time: 457 hr