CAS Num: 000112-07-2
SMILES : O=C(OCCOCCCC)C
CHEM   : Ethanol, 2-butoxy-, acetate
MOL FOR: C8 H16 O3 
MOL WT : 160.21
------------------------------ 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) =  1.57

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  191.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -15.23  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.537  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  71.5  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -63 deg C
    BP  (exp database):  192 deg C
    VP  (exp database):  3.75E-01 mm Hg (5.00E+001 Pa) at 20 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3103
       log Kow used: 1.57 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  9000 mg/L (20 deg C)
        Exper. Ref:  BEILSTEIN

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9476.1 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.38E-006  atm-m3/mole  (6.46E-001 Pa-m3/mole)
   Group Method:   6.74E-007  atm-m3/mole  (6.83E-002 Pa-m3/mole)
   Exper Database: 5.46E-06  atm-m3/mole  (5.53E-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:  3.648E-005 atm-m3/mole  (3.696E+000 Pa-m3/mole)
      VP:   0.537 mm Hg (source: MPBPVP)
      WS:   3.1E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.57  (KowWin est)
  Log Kaw used:  -3.651  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.221
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6065
   Biowin2 (Non-Linear Model)     :   0.9619
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2750  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1049  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8286
   Biowin6 (MITI Non-Linear Model):   0.9188
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4038
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  50 Pa (0.375 mm Hg)
  Log Koa (Koawin est  ): 5.221
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6E-008 
       Octanol/air (Koa) model:  4.08E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.17E-006 
       Mackay model           :  4.8E-006 
       Octanol/air (Koa) model:  3.27E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.2328 E-12 cm3/molecule-sec
      Half-Life =     0.504 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.045 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.48E-006 (Junge-Pankow, Mackay avg)
      3.27E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  15.08  L/kg (MCI method)
      Log Koc:  1.179       (MCI method)
      Koc    :  43.38  L/kg (Kow method)
      Log Koc:  1.637       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.632E-001  L/mol-sec
  Kb Half-Life at pH 8:      30.478  days   
  Kb Half-Life at pH 7:     304.777  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.704 (BCF = 5.061 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6033 days (HL = 0.02493 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.410 (BCF = 2.573)
   Log BAF Arnot-Gobas method (upper trophic) = 0.410 (BAF = 2.573)
       log Kow used: 1.57 (estimated)

 Volatilization from Water:
    Henry LC:  5.46E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:        137  hours   (5.709 days)
    Half-Life from Model Lake :       1601  hours   (66.7 days)

 Removal In Wastewater Treatment:
    Total removal:               2.30  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.90  percent
    Total to Air:                0.31  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.07            12.1         1000       
   Water     35.8            208          1000       
   Soil      62              416          1000       
   Sediment  0.0821          1.87e+003    0          
     Persistence Time: 252 hr