CAS Number: 919-94-8
SMILES : O(C(CC)(C)C)CC
CHEM   : Butane, 2-ethoxy-2-methyl-
MOL FOR: C7 H16 O1 
MOL WT : 116.21
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  2.41
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  97.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -68.41  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  39.8  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.3E+003  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  102 deg C
    VP  (exp database):  5.00E+01 mm Hg (6.67E+003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  903.5
       log Kow used: 2.41 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  400 mg/L (20 deg C)
        Exper. Ref:  EVANS,TW & EDLUND,KR (1936)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4493.3 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.55E-003  atm-m3/mole  (3.60E+002 Pa-m3/mole)
   Group Method:   2.74E-003  atm-m3/mole  (2.78E+002 Pa-m3/mole)
   Exper Database: 1.91E-02  atm-m3/mole  (1.94E+003 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:  6.736E-003 atm-m3/mole  (6.825E+002 Pa-m3/mole)
      VP:   39.8 mm Hg (source: MPBPVP)
      WS:   904 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.41  (KowWin est)
  Log Kaw used:  -0.107  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.517
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1609
   Biowin2 (Non-Linear Model)     :   0.0220
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7216  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5169  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5360
   Biowin6 (MITI Non-Linear Model):   0.5986
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0217
 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):  6.67E+003 Pa (50 mm Hg)
  Log Koa (Koawin est  ): 2.517
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.5E-010 
       Octanol/air (Koa) model:  8.07E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.63E-008 
       Mackay model           :  3.6E-008 
       Octanol/air (Koa) model:  6.46E-009 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.5617 E-12 cm3/molecule-sec
      Half-Life =     1.013 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.153 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.61E-008 (Junge-Pankow, Mackay avg)
      6.46E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  41.3  L/kg (MCI method)
      Log Koc:  1.616       (MCI method)
      Koc    :  147.1  L/kg (Kow method)
      Log Koc:  2.168       (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 v3.01):
   Log BCF from regression-based method = 1.258 (BCF = 18.12 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3868 days (HL = 0.4104 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.372 (BCF = 23.52)
   Log BAF Arnot-Gobas method (upper trophic) = 1.372 (BAF = 23.52)
       log Kow used: 2.41 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0191 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.133  hours
    Half-Life from Model Lake :      102.8  hours   (4.281 days)
 
 Removal In Wastewater Treatment:
    Total removal:              88.21  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     1.08  percent
    Total to Air:               87.10  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       20.7            24.3         1000       
   Water     73.3            900          1000       
   Soil      5.7             1.8e+003     1000       
   Sediment  0.284           8.1e+003     0          
     Persistence Time: 108 hr