CAS Number: 84540-57-8
SMILES : O=C(OCC(OC)C)C
CHEM   : Propanol, 1(or 2)-methoxy-, acetate
MOL FOR: C6 H12 O3 
MOL WT : 132.16
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  0.52
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  135.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -50.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.72  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.03E+003  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3.266e+004
       log Kow used: 0.52 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.5535e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.62E-006  atm-m3/mole  (3.67E-001 Pa-m3/mole)
   Group Method:   5.87E-007  atm-m3/mole  (5.95E-002 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:  4.110E-005 atm-m3/mole  (4.165E+000 Pa-m3/mole)
      VP:   7.72 mm Hg (source: MPBPVP)
      WS:   3.27E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.52  (KowWin est)
  Log Kaw used:  -3.830  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.350
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5114
   Biowin2 (Non-Linear Model)     :   0.8560
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0387  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8763  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6641
   Biowin6 (MITI Non-Linear Model):   0.8080
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3721
 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):  948 Pa (7.11 mm Hg)
  Log Koa (Koawin est  ): 4.350
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.16E-009 
       Octanol/air (Koa) model:  5.5E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.14E-007 
       Mackay model           :  2.53E-007 
       Octanol/air (Koa) model:  4.4E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.4330 E-12 cm3/molecule-sec
      Half-Life =     0.614 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.363 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.84E-007 (Junge-Pankow, Mackay avg)
      4.4E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.998  L/kg (MCI method)
      Log Koc:  0.602       (MCI method)
      Koc    :  11.39  L/kg (Kow method)
      Log Koc:  1.057       (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 v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.9328 days (HL = 0.01167 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.001 (BCF = 1.002)
   Log BAF Arnot-Gobas method (upper trophic) = 0.001 (BAF = 1.002)
       log Kow used: 0.52 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.87E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1148  hours   (47.83 days)
    Half-Life from Model Lake : 1.262E+004  hours   (525.7 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.55            14.7         1000       
   Water     42.8            360          1000       
   Soil      55.6            720          1000       
   Sediment  0.0855          3.24e+003    0          
     Persistence Time: 375 hr