CAS Number: 24565-13-7
SMILES : OS(=O)(=O)c2cc(ccc2C=Cc3ccc(cc3S(=O)(=O)O)Nc4nc(nc(n4)Nc5ccccc5)NCC)N
         c6nc(nc(n6)NCC)Nc1ccccc1
CHEM   : C.I. FLUORESCENT BRIGHTENER 208
MOL FOR: C36 H36 N12 O6 S2 
MOL WT : 796.88
------------------------------ EPI SUMMARY (v4.10) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  6.61
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1111.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.36E-035  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.81E-033  (Modified Grain method)
    Subcooled liquid VP: 6.97E-032 mm Hg (25 deg C, Mod-Grain method)
                       : 9.29E-030 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.793e-007
       log Kow used: 6.61 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00014477 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Triazines-acid
       Melamines -acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.38E-042  atm-m3/mole  (7.48E-037 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:  5.848E-024 atm-m3/mole  (5.925E-019 Pa-m3/mole)
      VP:   1E-030 mm Hg (source: MPBPVP)
      WS:   1.79E-007 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.61  (KowWin est)
  Log Kaw used:  -39.520  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  46.130
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.2066
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.4652  (recalcitrant)
   Biowin4 (Primary Survey Model) :   1.9857  (months      )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -2.0833
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -3.0857
 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):  9.29E-030 Pa (6.97E-032 mm Hg)
  Log Koa (Koawin est  ): 46.130
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.23E+023 
       Octanol/air (Koa) model:  3.31E+033 
   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 = 274.3870 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 281.9870 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   28.067 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   27.310 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    12.599999 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    25.199999 E-17 cm3/molecule-sec [Trans-]
      Half-Life =   130.971 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    65.486 Min (at 7E11 mol/cm3) [Trans-isomer]
   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    :  1E+010  L/kg (MCI method)
      Log Koc:  10.678      (MCI method)
      Koc    :  1.765E+004  L/kg (Kow method)
      Log Koc:  4.247       (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 v3.01):
   Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1776 days (HL = 0.06643 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.206 (BCF = 16.08)
   Log BAF Arnot-Gobas method (upper trophic) = 1.207 (BAF = 16.1)
       log Kow used: 6.61 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.38E-042 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  2.24E+038  hours   (9.331E+036 days)
    Half-Life from Model Lake : 2.443E+039  hours   (1.018E+038 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.57  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.79  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       2.7e-010        0.655        1000       
   Water     0.548           4.32e+003    1000       
   Soil      52.1            8.64e+003    1000       
   Sediment  47.4            3.89e+004    0          
     Persistence Time: 1.51e+004 hr