CAS Num: 003842-03-3
SMILES : O(C(OCC)CC(C)C)CC
CHEM   : Butane, 1,1-diethoxy-3-methyl-
MOL FOR: C9 H20 O2 
MOL WT : 160.26
------------------------------ 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) =  2.60

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  161.85  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -43.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.03  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  403  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  407.1
       log Kow used: 2.60 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2015.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.77E-004  atm-m3/mole  (2.81E+001 Pa-m3/mole)
   Group Method:   3.38E-004  atm-m3/mole  (3.42E+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:  1.569E-003 atm-m3/mole  (1.590E+002 Pa-m3/mole)
      VP:   3.03 mm Hg (source: MPBPVP)
      WS:   407 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.60  (KowWin est)
  Log Kaw used:  -1.946  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.546
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0235
   Biowin2 (Non-Linear Model)     :   0.0022
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8277  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5970  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2869
   Biowin6 (MITI Non-Linear Model):   0.2408
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2504
 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):  369 Pa (2.77 mm Hg)
  Log Koa (Koawin est  ): 4.546
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.12E-009 
       Octanol/air (Koa) model:  8.63E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.93E-007 
       Mackay model           :  6.5E-007 
       Octanol/air (Koa) model:  6.9E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.2141 E-12 cm3/molecule-sec
      Half-Life =     0.424 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.090 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.72E-007 (Junge-Pankow, Mackay avg)
      6.9E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  37.01  L/kg (MCI method)
      Log Koc:  1.568       (MCI method)
      Koc    :  152.1  L/kg (Kow method)
      Log Koc:  2.182       (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 = 1.386 (BCF = 24.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5235 days (HL = 0.2996 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.494 (BCF = 31.2)
   Log BAF Arnot-Gobas method (upper trophic) = 1.494 (BAF = 31.2)
       log Kow used: 2.60 (estimated)

 Volatilization from Water:
    Henry LC:  0.000277 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.968  hours
    Half-Life from Model Lake :      149.4  hours   (6.226 days)

 Removal In Wastewater Treatment:
    Total removal:              14.43  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.06  percent
    Total to Air:               11.28  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.09            10.2         1000       
   Water     34.8            360          1000       
   Soil      62              720          1000       
   Sediment  0.117           3.24e+003    0          
     Persistence Time: 249 hr