CAS Num: 002302-96-7
SMILES : c12c(N=Nc3c4ccccc4c(S(=O)(=O)O[Na])cc3)c(O)ccc1cc(S(=O)(=O)O[Na])cc2
CHEM   : 1-Naphthalenesulfonic acid, 4-[(2-hydroxy-6-sulfo-1-naphthalenyl)azo]
         -, disodium salt
MOL FOR: C20 H12 N2 O7 S2 Na2 
MOL WT : 502.43
------------------------------ 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) =  -0.00

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  907.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.05E-024  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.4E-022  (Modified Grain method)
    Subcooled liquid VP: 5.37E-021 mm Hg (25 deg C, Mod-Grain method)
                       : 7.16E-019 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  75.57
       log Kow used: -0.00 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0022571 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.21E-024  atm-m3/mole  (3.25E-019 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:  9.185E-027 atm-m3/mole  (9.307E-022 Pa-m3/mole)
      VP:   1.05E-024 mm Hg (source: MPBPVP)
      WS:   75.6 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.00  (KowWin est)
  Log Kaw used:  -21.882  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.882
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0443
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2265  (months      )
   Biowin4 (Primary Survey Model) :   3.2164  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4988
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8866
 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):  7.16E-019 Pa (5.37E-021 mm Hg)
  Log Koa (Koawin est  ): 21.882
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.19E+012 
       Octanol/air (Koa) model:  1.87E+009 
   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 =   4.9383 E-12 cm3/molecule-sec
      Half-Life =     2.166 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    25.991 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    :  2.77E+005  L/kg (MCI method)
      Log Koc:  5.442       (MCI method)
      Koc    :  33.34  L/kg (Kow method)
      Log Koc:  1.523       (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) = -0.8611 days (HL = 0.1377 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.353 (BCF = 22.53)
   Log BAF Arnot-Gobas method (upper trophic) = 1.353 (BAF = 22.53)
       log Kow used: 2.58 (estimated)

 Volatilization from Water:
    Henry LC:  3.21E-024 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.088E+020  hours   (1.703E+019 days)
    Half-Life from Model Lake :  4.46E+021  hours   (1.858E+020 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       0.0045          52           1000       
   Water     2.82            1.44e+003    1000       
   Soil      52.9            2.88e+003    1000       
   Sediment  44.2            1.3e+004     0          
     Persistence Time: 4.93e+003 hr