CAS Number: 27344-41-8
SMILES : O([Na])S(=O)(=O)c1ccccc1C=Cc2ccc(cc2)c4ccc(C=Cc3ccccc3S(O([Na]))(=O)=
         O)cc4
CHEM   : Benzenesulfonic acid, 2,2 -([1,1 -biphenyl]-4,4 -diyldi-2,1-ethenediy
         l)bis-, disodium salt
MOL FOR: C28 H20 O6 S2 Na2 
MOL WT : 562.57
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
 Physical Property Inputs:
------------------------------ EPI SUMMARY (v3.20) --------------------------
    Water Solubility (mg/L):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  2.14
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  936.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.03E-023  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.37E-021  (Modified Grain method)
    Subcooled liquid VP: 5.27E-020 mm Hg (25 deg C, Mod-Grain method)
                       : 7.03E-018 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.237
       log Kow used: 2.14 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.6257e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.80E-020  atm-m3/mole  (4.86E-015 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:  1.799E-024 atm-m3/mole  (1.823E-019 Pa-m3/mole)
      VP:   1.03E-023 mm Hg (source: MPBPVP)
      WS:   4.24 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.14  (KowWin est)
  Log Kaw used:  -17.707  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.847
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0531
   Biowin2 (Non-Linear Model)     :   0.0016
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3375  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.1428  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.6302
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.7386
 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):  7.03E-018 Pa (5.27E-020 mm Hg)
  Log Koa (Koawin est  ): 19.847
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.27E+011 
       Octanol/air (Koa) model:  1.73E+007 
   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 = 119.9531 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 135.1531 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.070 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.950 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    25.199999 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    50.399998 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.091 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     0.546 Hrs (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    :  3.303E+007  L/kg (MCI method)
      Log Koc:  7.519       (MCI method)
      Koc    :  128.5  L/kg (Kow method)
      Log Koc:  2.109       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0460 days (HL = 11.12 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.370 (BCF = 2345)
   Log BAF Arnot-Gobas method (upper trophic) = 3.462 (BAF = 2896)
       log Kow used: 4.71 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.8E-020 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.893E+016  hours   (1.205E+015 days)
    Half-Life from Model Lake : 3.156E+017  hours   (1.315E+016 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.40  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.30  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       0.0105          0.723        1000       
   Water     1.8             900          1000       
   Soil      28.1            1.8e+003     1000       
   Sediment  70.1            8.1e+003     0          
     Persistence Time: 3.16e+003 hr