CAS Num: 002611-82-7
SMILES : c1c(S(=O)(=O)O)cc2ccc(O)c(N=Nc3ccc(S(=O)(=O)O)c4ccccc34)c2c1S(=O)(=O)
         O
CHEM   : 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[(4-sulfo-1-naphthalenyl)
         azo]-, trisodium salt
MOL FOR: C20 H14 N2 O10 S3 
MOL WT : 538.52
------------------------------ 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) =  1.63

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  879.85  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.47E-028  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.29E-026  (Modified Grain method)
    Subcooled liquid VP: 1.27E-024 mm Hg (25 deg C, Mod-Grain method)
                       : 1.69E-022 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.789
       log Kow used: 1.63 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  8e+004 mg/L (25 deg C)
        Exper. Ref:  GREEN,FJ (1990)

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

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Hydrazines-acid
       Phenols-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.49E-030  atm-m3/mole  (1.51E-025 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:  9.783E-029 atm-m3/mole  (9.913E-024 Pa-m3/mole)
      VP:   2.47E-028 mm Hg (source: MPBPVP)
      WS:   1.79 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.63  (KowWin est)
  Log Kaw used:  -28.215  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  29.845
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3062
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1918  (months      )
   Biowin4 (Primary Survey Model) :   3.1225  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.7230
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1680
 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):  1.69E-022 Pa (1.27E-024 mm Hg)
  Log Koa (Koawin est  ): 29.845
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.77E+016 
       Octanol/air (Koa) model:  1.72E+017 
   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 =   2.4374 E-12 cm3/molecule-sec
      Half-Life =     4.388 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    52.660 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   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    :  1.941E+006  L/kg (MCI method)
      Log Koc:  6.288       (MCI method)
      Koc    :  265.8  L/kg (Kow method)
      Log Koc:  2.425       (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) = -1.5992 days (HL = 0.02517 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.444 (BCF = 2.781)
   Log BAF Arnot-Gobas method (upper trophic) = 0.444 (BAF = 2.781)
       log Kow used: 1.63 (estimated)

 Volatilization from Water:
    Henry LC:  1.49E-030 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 9.119E+026  hours   (3.799E+025 days)
    Half-Life from Model Lake : 9.948E+027  hours   (4.145E+026 days)

 Removal In Wastewater Treatment:
    Total removal:               2.02  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.92  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       7.53e-006       105          1000       
   Water     1.38            1.44e+003    1000       
   Soil      43.6            2.88e+003    1000       
   Sediment  55              1.3e+004     0          
     Persistence Time: 6.03e+003 hr