CAS Num: 003458-72-8
SMILES : O=C(CC(CC(=O)ON(H)(H)(H)H)(O)C(=O)ON(H)(H)(H)H)ON(H)(H)(H)H
CHEM   : 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triammonium salt
MOL FOR: C6 H17 N3 O7 
MOL WT : 243.22
------------------------------ 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) =  -1.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  748.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  328.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.27E-022  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.24E-019  (Modified Grain method)
    Subcooled liquid VP: 2.52E-018 mm Hg (25 deg C, Mod-Grain method)
                       : 3.36E-016 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.255e+005
       log Kow used: -1.43 (estimated)
       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:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.24E-031  atm-m3/mole  (9.37E-026 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:  6.972E-028 atm-m3/mole  (7.065E-023 Pa-m3/mole)
      VP:   9.27E-022 mm Hg (source: MPBPVP)
      WS:   4.26E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.43  (KowWin est)
  Log Kaw used:  -28.423  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  26.993
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4478
   Biowin2 (Non-Linear Model)     :   0.1026
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4496  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3434  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1458
   Biowin6 (MITI Non-Linear Model):   0.0482
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1161
 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):  3.36E-016 Pa (2.52E-018 mm Hg)
  Log Koa (Koawin est  ): 26.993
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.93E+009 
       Octanol/air (Koa) model:  2.42E+014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.3405 E-12 cm3/molecule-sec
      Half-Life =     4.570 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    54.839 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    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  0.1837  L/kg (Kow method)
      Log Koc:  -0.736      (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.482E-001  L/mol-sec
  Kb Half-Life at pH 8:      14.632  days   
  Kb Half-Life at pH 7:     146.321  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) = -2.8490 days (HL = 0.001416 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8937)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8937)
       log Kow used: -1.43 (estimated)

 Volatilization from Water:
    Henry LC:  9.24E-031 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 9.882E+026  hours   (4.117E+025 days)
    Half-Life from Model Lake : 1.078E+028  hours   (4.492E+026 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       1.06e-011       110          1000       
   Water     35              900          1000       
   Soil      64.9            1.8e+003     1000       
   Sediment  0.0835          8.1e+003     0          
     Persistence Time: 1.15e+003 hr