CAS Number: 6424-77-7
SMILES : O=C(N(C(=O)c(c1c(c(c(c(c(c(C(=O)N(C2(=O))c(ccc(OC)c3)c3)c4)c2cc5)c56)
         c4)cc7)c6c8)c8)c(ccc(OC)c9)c9)c17
CHEM   : Anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10(2H,9H)-tetrone
         , 2,9-bis(4-methoxyphenyl)-
MOL FOR: C38 H22 N2 O6 
MOL WT : 602.61
    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) =  5.34
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1005.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.16E-025  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.55E-023  (Modified Grain method)
    Subcooled liquid VP: 5.94E-022 mm Hg (25 deg C, Mod-Grain method)
                       : 7.92E-020 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0003322
       log Kow used: 5.34 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.0261e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Imides
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.71E-022  atm-m3/mole  (1.73E-017 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:  2.769E-022 atm-m3/mole  (2.805E-017 Pa-m3/mole)
      VP:   1.16E-025 mm Hg (source: MPBPVP)
      WS:   0.000332 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.34  (KowWin est)
  Log Kaw used:  -20.155  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  25.495
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0672
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.9519  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.4303  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.5578
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4939
 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):  7.92E-020 Pa (5.94E-022 mm Hg)
  Log Koa (Koawin est  ): 25.495
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.79E+013 
       Octanol/air (Koa) model:  7.67E+012 
   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 =  31.5394 E-12 cm3/molecule-sec
      Half-Life =     0.339 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.070 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    :  4.647E+006  L/kg (MCI method)
      Log Koc:  6.667       (MCI method)
      Koc    :  3082  L/kg (Kow method)
      Log Koc:  3.489       (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 = 3.188 (BCF = 1542 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6708 days (HL = 4.686 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.223 (BCF = 1670)
   Log BAF Arnot-Gobas method (upper trophic) = 3.309 (BAF = 2036)
       log Kow used: 5.34 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.71E-022 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.405E+018  hours   (3.502E+017 days)
    Half-Life from Model Lake : 9.169E+019  hours   (3.82E+018 days)
 
 Removal In Wastewater Treatment:
    Total removal:              85.90  percent
    Total biodegradation:        0.73  percent
    Total sludge adsorption:    85.17  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       0.0223          8.14         1000       
   Water     0.733           4.32e+003    1000       
   Soil      43.9            8.64e+003    1000       
   Sediment  55.3            3.89e+004    0          
     Persistence Time: 1.16e+004 hr