CAS Number: 121-75-5
SMILES : CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
CHEM   : Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethylester
MOL FOR: C10 H19 O6 P1 S2 
MOL WT : 330.35
------------------------------ 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) =  2.29
    Log Kow (Exper. database match) =  2.36
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  351.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -23.58  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000124  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0165  (Modified Grain method)
    MP  (exp database):  2.8 deg C
    BP  (exp database):  156-157 @ 0.7 mm Hg deg C
    VP  (exp database):  3.38E-06 mm Hg (4.51E-004 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  78.45
       log Kow used: 2.36 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  143 mg/L (20 deg C)
        Exper. Ref:  BOWMAN,BT & SANS,WW (1983)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  427.53 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Esters, Dithiophosphates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.39E-010  atm-m3/mole  (8.50E-005 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 4.89E-09  atm-m3/mole  (4.95E-004 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:  6.871E-007 atm-m3/mole  (6.962E-002 Pa-m3/mole)
      VP:   0.000124 mm Hg (source: MPBPVP)
      WS:   78.5 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.36  (exp database)
  Log Kaw used:  -6.699  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.059
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2526
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9033  (weeks       )
   Biowin4 (Primary Survey Model) :   4.2944  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6707
   Biowin6 (MITI Non-Linear Model):   0.5691
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.3006
 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):  0.000451 Pa (3.38E-006 mm Hg)
  Log Koa (Koawin est  ): 9.059
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00666 
       Octanol/air (Koa) model:  0.000281 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.194 
       Mackay model           :  0.347 
       Octanol/air (Koa) model:  0.022 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  77.4198 E-12 cm3/molecule-sec
      Half-Life =     0.138 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.658 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.271 (Junge-Pankow, Mackay avg)
      0.022 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  31.27  L/kg (MCI method)
      Log Koc:  1.495       (MCI method)
      Koc    :  101.8  L/kg (Kow method)
      Log Koc:  2.008       (Kow method)
       Experimental Log Koc:  2.36  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.056E-002  L/mol-sec
  Kb Half-Life at pH 8:     132.459  days   
  Kb Half-Life at pH 7:       3.627  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
  Phosphorus esters hydrolysis rates available (see Full Output)
 
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.224 (BCF = 16.75 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.1204 days (HL = 0.007579 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.387 (BCF = 24.39)
   Log BAF Arnot-Gobas method (upper trophic) = 1.387 (BAF = 24.39)
       log Kow used: 2.36 (expkow database)
 
 Volatilization from Water:
    Henry LC:  4.89E-009 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 2.176E+005  hours   (9067 days)
    Half-Life from Model Lake : 2.374E+006  hours   (9.892E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.76  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.66  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       0.0763          3.32         1000       
   Water     26              360          1000       
   Soil      73.9            720          1000       
   Sediment  0.0814          3.24e+003    0          
     Persistence Time: 610 hr