CAS Number: 627-73-6
SMILES : O=C(OCC)CCC(=O)OC
CHEM   : BUTANEDIOIC ACID, ETHYL METHYL ESTER
MOL FOR: C7 H12 O4 
MOL WT : 160.17
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  0.90
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  166.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -83.29  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.239  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  31.9  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  <-20 deg C
    BP  (exp database):  208.2 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.173e+004
       log Kow used: 0.90 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  22475 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.36E-007  atm-m3/mole  (7.45E-002 Pa-m3/mole)
   Group Method:   8.68E-008  atm-m3/mole  (8.79E-003 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:  4.294E-006 atm-m3/mole  (4.351E-001 Pa-m3/mole)
      VP:   0.239 mm Hg (source: MPBPVP)
      WS:   1.17E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.90  (KowWin est)
  Log Kaw used:  -4.522  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.422
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0197
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1256  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0746  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0722
   Biowin6 (MITI Non-Linear Model):   0.9840
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0986
 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):  29.3 Pa (0.22 mm Hg)
  Log Koa (Koawin est  ): 5.422
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.02E-007 
       Octanol/air (Koa) model:  6.49E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.69E-006 
       Mackay model           :  8.18E-006 
       Octanol/air (Koa) model:  5.19E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.5915 E-12 cm3/molecule-sec
      Half-Life =     4.127 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    49.527 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.94E-006 (Junge-Pankow, Mackay avg)
      5.19E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  19.58  L/kg (Kow method)
      Log Koc:  1.292       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.192E-002  L/mol-sec
  Kb Half-Life at pH 8:      87.272  days   
  Kb Half-Life at pH 7:       2.389  years  
    (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) = -2.6307 days (HL = 0.00234 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.016 (BCF = 1.037)
   Log BAF Arnot-Gobas method (upper trophic) = 0.016 (BAF = 1.037)
       log Kow used: 0.90 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.68E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       8538  hours   (355.7 days)
    Half-Life from Model Lake : 9.325E+004  hours   (3885 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.88  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.79  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.37            99           1000       
   Water     32.7            360          1000       
   Soil      65.8            720          1000       
   Sediment  0.0737          3.24e+003    0          
     Persistence Time: 548 hr