CAS Num: 000087-91-2
SMILES : O=C(OCC)C(O)C(O)C(=O)OCC
CHEM   : Butanedioic acid, 2,3-dihydroxy-  R-(R*,R*) -, diethyl ester
MOL FOR: C8 H14 O6 
MOL WT : 206.20
------------------------------ 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) =  -0.08
    Log Kow (Exper. database match) =  -0.29
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  288.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  3.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000259  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.0345  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  17 deg C
    BP  (exp database):  280 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.192e+004
       log Kow used: -0.29 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.38E-005  atm-m3/mole  (2.41E+000 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  9.771E-010 atm-m3/mole  (9.900E-005 Pa-m3/mole)
      VP:   0.000259 mm Hg (source: MPBPVP)
      WS:   7.19E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.29  (exp database)
  Log Kaw used:  -3.012  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.722
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3152
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3439  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2671  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1068
   Biowin6 (MITI Non-Linear Model):   0.9848
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0065
 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):  0.0368 Pa (0.000276 mm Hg)
  Log Koa (Koawin est  ): 2.722
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.15E-005 
       Octanol/air (Koa) model:  1.29E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00294 
       Mackay model           :  0.00648 
       Octanol/air (Koa) model:  1.04E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.7814 E-12 cm3/molecule-sec
      Half-Life =     1.218 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.616 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00471 (Junge-Pankow, Mackay avg)
      1.04E-008 (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    :  0.6466  L/kg (Kow method)
      Log Koc:  -0.189      (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.344E+000  L/mol-sec
  Kb Half-Life at pH 8:       5.968  days   
  Kb Half-Life at pH 7:      59.683  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) = -3.6430 days (HL = 0.0002275 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.044 (BCF = 0.9029)
   Log BAF Arnot-Gobas method (upper trophic) = -0.044 (BAF = 0.9029)
       log Kow used: -0.29 (expkow database)

 Volatilization from Water:
    Henry LC:  2.38E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      36.79  hours   (1.533 days)
    Half-Life from Model Lake :      521.8  hours   (21.74 days)

 Removal In Wastewater Treatment:
    Total removal:               3.13  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.74  percent
    Total to Air:                1.30  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.73            29.2         1000       
   Water     36.9            208          1000       
   Soil      58.3            416          1000       
   Sediment  0.0777          1.87e+003    0          
     Persistence Time: 240 hr