CAS Num: 000097-64-3
SMILES : O=C(OCC)C(O)C
CHEM   : Propanoic acid, 2-hydroxy-, ethyl ester
MOL FOR: C5 H10 O3 
MOL WT : 118.13
------------------------------ 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) =  -0.18

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  166.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -27.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.08  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  144  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  154 deg C
    VP  (exp database):  3.75E+00 mm Hg (5.00E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.728e+005
       log Kow used: -0.18 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.173e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.82E-005  atm-m3/mole  (4.88E+000 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 5.83E-07  atm-m3/mole  (5.91E-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:  3.551E-007 atm-m3/mole  (3.598E-002 Pa-m3/mole)
      VP:   1.08 mm Hg (source: MPBPVP)
      WS:   4.73E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.18  (KowWin est)
  Log Kaw used:  -4.623  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.443
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0242
   Biowin2 (Non-Linear Model)     :   0.9985
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2383  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0357  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8651
   Biowin6 (MITI Non-Linear Model):   0.9495
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8417
 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):  500 Pa (3.75 mm Hg)
  Log Koa (Koawin est  ): 4.443
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6E-009 
       Octanol/air (Koa) model:  6.81E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.17E-007 
       Mackay model           :  4.8E-007 
       Octanol/air (Koa) model:  5.45E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.0739 E-12 cm3/molecule-sec
      Half-Life =     2.626 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    31.506 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.48E-007 (Junge-Pankow, Mackay avg)
      5.45E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1  L/kg (MCI method)
      Log Koc:  0.000       (MCI method)
      Koc    :  2.231  L/kg (Kow method)
      Log Koc:  0.348       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.117E+000  L/mol-sec
  Kb Half-Life at pH 8:       7.179  days   
  Kb Half-Life at pH 7:      71.793  days   
    (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) = -2.3952 days (HL = 0.004026 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.043 (BCF = 0.9057)
   Log BAF Arnot-Gobas method (upper trophic) = -0.043 (BAF = 0.9057)
       log Kow used: -0.18 (estimated)

 Volatilization from Water:
    Henry LC:  5.83E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1093  hours   (45.53 days)
    Half-Life from Model Lake : 1.201E+004  hours   (500.4 days)

 Removal In Wastewater Treatment:
    Total removal:               1.88  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       3.61            65.8         1000       
   Water     43.7            360          1000       
   Soil      52.6            720          1000       
   Sediment  0.0818          3.24e+003    0          
     Persistence Time: 396 hr