CAS Num: 000079-20-9
SMILES : O=C(OC)C
CHEM   : Acetic acid, methyl ester
MOL FOR: C3 H6 O2 
MOL WT : 74.08
------------------------------ 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) =  0.37
    Log Kow (Exper. database match) =  0.18
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  52.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -95.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  52.7  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  7.03E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -98 deg C
    BP  (exp database):  92 deg C
    VP  (exp database):  2.16E+02 mm Hg (2.88E+004 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.39e+004
       log Kow used: 0.18 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2.43e+005 mg/L (20 deg C)
        Exper. Ref:  STEPHEN,H & STEPHEN,T (1963)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.1275e+005 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.75E-004  atm-m3/mole  (1.78E+001 Pa-m3/mole)
   Group Method:   1.17E-004  atm-m3/mole  (1.19E+001 Pa-m3/mole)
   Exper Database: 1.15E-04  atm-m3/mole  (1.17E+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:  5.471E-005 atm-m3/mole  (5.543E+000 Pa-m3/mole)
      VP:   52.7 mm Hg (source: MPBPVP)
      WS:   9.39E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.18  (exp database)
  Log Kaw used:  -2.328  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.508
      Log Koa (experimental database):  2.310

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8865
   Biowin2 (Non-Linear Model)     :   0.9976
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1757  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9698  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8363
   Biowin6 (MITI Non-Linear Model):   0.9464
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8488
 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):  2.88E+004 Pa (216 mm Hg)
  Log Koa (Exp database): 2.310
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.04E-010 
       Octanol/air (Koa) model:  5.01E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.76E-009 
       Mackay model           :  8.33E-009 
       Octanol/air (Koa) model:  4.01E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2598 E-12 cm3/molecule-sec
      Half-Life =    41.176 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.05E-009 (Junge-Pankow, Mackay avg)
      4.01E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.064  L/kg (MCI method)
      Log Koc:  0.486       (MCI method)
      Koc    :  9.101  L/kg (Kow method)
      Log Koc:  0.959       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.279E-001  L/mol-sec
  Kb Half-Life at pH 8:      62.702  days   
  Kb Half-Life at pH 7:       1.717  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 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) = -1.9420 days (HL = 0.01143 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.025 (BCF = 0.9433)
   Log BAF Arnot-Gobas method (upper trophic) = -0.025 (BAF = 0.9433)
       log Kow used: 0.18 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000115 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       5.26  hours
    Half-Life from Model Lake :      129.6  hours   (5.398 days)

 Removal In Wastewater Treatment:
    Total removal:               7.29  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.68  percent
    Total to Air:                5.52  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       18.5            753          1000       
   Water     41.2            360          1000       
   Soil      40.2            720          1000       
   Sediment  0.0808          3.24e+003    0          
     Persistence Time: 277 hr