CAS Num: 001634-04-4
SMILES : O(C(C)(C)C)C
CHEM   : Propane, 2-methoxy-2-methyl-
MOL FOR: C5 H12 O1 
MOL WT : 88.15
------------------------------ 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) =  1.43
    Log Kow (Exper. database match) =  0.94
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  47.04  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -94.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  252  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.36E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -108.6 deg C
    BP  (exp database):  55.2 deg C
    VP  (exp database):  2.50E+02 mm Hg (3.33E+004 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.98e+004
       log Kow used: 0.94 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5.1e+004 mg/L (25 deg C)
        Exper. Ref:  BENNETT,GM & PHILIP,WG (1928)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  40421 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.02E-003  atm-m3/mole  (2.04E+002 Pa-m3/mole)
   Group Method:   1.44E-003  atm-m3/mole  (1.46E+002 Pa-m3/mole)
   Exper Database: 5.87E-04  atm-m3/mole  (5.95E+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:  1.476E-003 atm-m3/mole  (1.496E+002 Pa-m3/mole)
      VP:   252 mm Hg (source: MPBPVP)
      WS:   1.98E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.94  (exp database)
  Log Kaw used:  -1.620  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.560
      Log Koa (experimental database):  2.580

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1743
   Biowin2 (Non-Linear Model)     :   0.0324
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7836  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5574  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5206
   Biowin6 (MITI Non-Linear Model):   0.5867
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0737
 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):  3.33E+004 Pa (250 mm Hg)
  Log Koa (Exp database): 2.580
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9E-011 
       Octanol/air (Koa) model:  9.33E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.25E-009 
       Mackay model           :  7.2E-009 
       Octanol/air (Koa) model:  7.47E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.2576 E-12 cm3/molecule-sec
      Half-Life =     4.738 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    56.853 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.23E-009 (Junge-Pankow, Mackay avg)
      7.47E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  11.56  L/kg (MCI method)
      Log Koc:  1.063       (MCI method)
      Koc    :  22.62  L/kg (Kow method)
      Log Koc:  1.354       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8155 days (HL = 0.1529 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.222 (BCF = 1.666)
   Log BAF Arnot-Gobas method (upper trophic) = 0.222 (BAF = 1.666)
       log Kow used: 0.94 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000587 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.895  hours
    Half-Life from Model Lake :      99.39  hours   (4.141 days)

 Removal In Wastewater Treatment:
    Total removal:              21.87  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.48  percent
    Total to Air:               20.32  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       22.4            87.3         1000       
   Water     43.8            360          1000       
   Soil      33.7            720          1000       
   Sediment  0.101           3.24e+003    0          
     Persistence Time: 178 hr