CAS Number: 6410-41-9
SMILES : O=C(Nc(c(OC)cc(OC)c1CL)c1)c(c(O)c(N=Nc(c(OC)ccc2S(=O)(=O)N(CC)CC)c2)c
         (c3ccc4)c4)c3
CHEM   : 2-Naphthalenecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-4-  5- (di
         ethylamino)sulfonyl -2-methoxyphenyl azo -3-hydro
MOL FOR: C30 H31 CL1 N4 O7 S1 
MOL WT : 627.12
    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) =  7.65
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  827.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.59E-022  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.45E-020  (Modified Grain method)
    Subcooled liquid VP: 1.33E-018 mm Hg (25 deg C, Mod-Grain method)
                       : 1.77E-016 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.383e-005
       log Kow used: 7.65 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00018669 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Hydrazines
       Phenols
       Amides 
       Phenol Amines 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.36E-021  atm-m3/mole  (4.41E-016 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:  4.876E-018 atm-m3/mole  (4.941E-013 Pa-m3/mole)
      VP:   2.59E-022 mm Hg (source: MPBPVP)
      WS:   4.38E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.65  (KowWin est)
  Log Kaw used:  -18.749  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  26.399
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7464
   Biowin2 (Non-Linear Model)     :   0.0031
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.1342  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.2013  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2336
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8195
 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):  1.77E-016 Pa (1.33E-018 mm Hg)
  Log Koa (Koawin est  ): 26.399
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.69E+010 
       Octanol/air (Koa) model:  6.15E+013 
   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 =  69.1520 E-12 cm3/molecule-sec
      Half-Life =     0.155 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.856 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    :  2.386E+005  L/kg (MCI method)
      Log Koc:  5.378       (MCI method)
      Koc    :  5.411E+005  L/kg (Kow method)
      Log Koc:  5.733       (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) = 1.4494 days (HL = 28.14 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.971 (BCF = 935.6)
   Log BAF Arnot-Gobas method (upper trophic) = 5.540 (BAF = 3.466e+005)
       log Kow used: 7.65 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.36E-021 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.363E+017  hours   (1.401E+016 days)
    Half-Life from Model Lake : 3.669E+018  hours   (1.529E+017 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.99  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.21  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       0.00785         3.71         1000       
   Water     2.75            4.32e+003    1000       
   Soil      73.6            8.64e+003    1000       
   Sediment  23.6            3.89e+004    0          
     Persistence Time: 8.67e+003 hr