CAS Number: 5979-28-2
SMILES : O=C(Nc(c(cc(c(ccc(NC(=O)C(N=Nc(c(cc(c1)CL)CL)c1)C(=O)C)c2C)c2)c3)C)c3
         )C(N=Nc(c(cc(c4)CL)CL)c4)C(=O)C
CHEM   : Butanamide, N,N'-(3,3'-dimethyl 1,1'-biphenyl -4,4'-diyl)bis 2- (2,4-
         dichlorophenyl)azo -3-oxo-
MOL FOR: C34 H28 CL4 N6 O4 
MOL WT : 726.45
    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) =  8.31
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  927.68  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.85E-023  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.47E-021  (Modified Grain method)
    Subcooled liquid VP: 9.5E-020 mm Hg (25 deg C, Mod-Grain method)
                       : 1.27E-017 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  6.93e-007
       log Kow used: 8.31 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.4423e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Hydrazines
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.59E-023  atm-m3/mole  (3.64E-018 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:  2.552E-017 atm-m3/mole  (2.586E-012 Pa-m3/mole)
      VP:   1.85E-023 mm Hg (source: MPBPVP)
      WS:   6.93E-007 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.31  (KowWin est)
  Log Kaw used:  -20.833  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  29.143
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2683
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):  -0.1364  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.2621  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.9464
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -5.0721
 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):  1.27E-017 Pa (9.5E-020 mm Hg)
  Log Koa (Koawin est  ): 29.143
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.37E+011 
       Octanol/air (Koa) model:  3.41E+016 
   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 =  25.1708 E-12 cm3/molecule-sec
      Half-Life =     0.425 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.099 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    :  1.371E+006  L/kg (MCI method)
      Log Koc:  6.137       (MCI method)
      Koc    :  7.387E+006  L/kg (Kow method)
      Log Koc:  6.868       (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 = 1.000 (BCF = 10 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3578 days (HL = 2.28 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.352 (BCF = 22.47)
   Log BAF Arnot-Gobas method (upper trophic) = 2.329 (BAF = 213.2)
       log Kow used: 8.31 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.59E-023 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.396E+019  hours   (1.832E+018 days)
    Half-Life from Model Lake : 4.795E+020  hours   (1.998E+019 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  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       0.00128         10.2         1000       
   Water     2.01            4.32e+003    1000       
   Soil      71              8.64e+003    1000       
   Sediment  26.9            3.89e+004    0          
     Persistence Time: 1.09e+004 hr