CAS Num: 004744-10-9
SMILES : O(C)C(OC)CC
CHEM   : PROPANE, 1,1-DIMETHOXY-
MOL FOR: C5 H12 O2 
MOL WT : 104.15
------------------------------ 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) =  0.71

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  83.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -81.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  84.6  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.13E+004  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.792e+004
       log Kow used: 0.71 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.0994e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.91E-005  atm-m3/mole  (9.03E+000 Pa-m3/mole)
   Group Method:   7.73E-005  atm-m3/mole  (7.84E+000 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:  4.152E-004 atm-m3/mole  (4.207E+001 Pa-m3/mole)
      VP:   84.6 mm Hg (source: MPBPVP)
      WS:   2.79E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.71  (KowWin est)
  Log Kaw used:  -2.439  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.149
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0032
   Biowin2 (Non-Linear Model)     :   0.0048
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9517  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6780  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4052
   Biowin6 (MITI Non-Linear Model):   0.4238
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0570
 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):  1.09E+004 Pa (81.8 mm Hg)
  Log Koa (Koawin est  ): 3.149
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.75E-010 
       Octanol/air (Koa) model:  3.46E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.94E-009 
       Mackay model           :  2.2E-008 
       Octanol/air (Koa) model:  2.77E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.7088 E-12 cm3/molecule-sec
      Half-Life =     0.914 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.962 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.6E-008 (Junge-Pankow, Mackay avg)
      2.77E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.989  L/kg (MCI method)
      Log Koc:  0.601       (MCI method)
      Koc    :  13.7  L/kg (Kow method)
      Log Koc:  1.137       (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) = -1.0630 days (HL = 0.0865 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.120 (BCF = 1.317)
   Log BAF Arnot-Gobas method (upper trophic) = 0.120 (BAF = 1.317)
       log Kow used: 0.71 (estimated)

 Volatilization from Water:
    Henry LC:  8.91E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      7.747  hours
    Half-Life from Model Lake :      170.1  hours   (7.087 days)

 Removal In Wastewater Treatment:
    Total removal:               6.21  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.71  percent
    Total to Air:                4.41  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.04            21.9         1000       
   Water     45.4            360          1000       
   Soil      49.5            720          1000       
   Sediment  0.0907          3.24e+003    0          
     Persistence Time: 256 hr