CAS Num: 002809-21-4
SMILES : O=P(O)(O)C(O)(P(=O)(O)O)C
CHEM   : Phosphonic acid, (1-hydroxyethylidene)bis-
MOL FOR: C2 H8 O7 P2 
MOL WT : 206.03
------------------------------ 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) =  -0.81

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  456.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  88.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.24E-010  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.65E-008  (Modified Grain method)
    Subcooled liquid VP: 4.99E-010 mm Hg (25 deg C, Mod-Grain method)
                       : 6.65E-008 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.455e+005
       log Kow used: -0.81 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  6.9e+005 mg/L (20 deg C)
        Exper. Ref:  MERCK INDEX (1996)

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

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.79E-026  atm-m3/mole  (9.92E-021 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:  5.208E-017 atm-m3/mole  (5.277E-012 Pa-m3/mole)
      VP:   1.24E-010 mm Hg (source: MPBPVP)
      WS:   6.46E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.81  (KowWin est)
  Log Kaw used:  -23.398  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  22.588
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4655
   Biowin2 (Non-Linear Model)     :   0.1624
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5318  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3970  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1672
   Biowin6 (MITI Non-Linear Model):   0.0473
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4223
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.65E-008 Pa (4.99E-010 mm Hg)
  Log Koa (Koawin est  ): 22.588
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  45.1 
       Octanol/air (Koa) model:  9.51E+009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.2168 E-12 cm3/molecule-sec
      Half-Life =     8.790 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =   105.483 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.361  L/kg (MCI method)
      Log Koc:  0.134       (MCI method)
      Koc    :  1.476  L/kg (Kow method)
      Log Koc:  0.169       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 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) = -2.3670 days (HL = 0.004295 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.896)
   Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.896)
       log Kow used: -0.81 (estimated)

 Volatilization from Water:
    Henry LC:  9.79E-026 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.584E+021  hours   (3.577E+020 days)
    Half-Life from Model Lake : 9.365E+022  hours   (3.902E+021 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       2.31e-015       211          1000       
   Water     44.3            900          1000       
   Soil      55.6            1.8e+003     1000       
   Sediment  0.0878          8.1e+003     0          
     Persistence Time: 1e+003 hr