CAS Number: 38103-06-9
SMILES : O=C(OC(=O)c1cc(Oc(ccc(c2)C(c(ccc(Oc(ccc(c3C(=O)O4)C4(=O))c3)c5)c5)(C)
         C)c2)cc6)c16
CHEM   : 1,3-Isobenzofurandione, 5,5'- (1-methylethylidene)bis(4,1-phenyleneox
         y) bis-
MOL FOR: C31 H20 O8 
MOL WT : 520.50
    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) =  8.87
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  655.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  285.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.27E-015  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.36E-013  (Modified Grain method)
    Subcooled liquid VP: 2.51E-012 mm Hg (25 deg C, Mod-Grain method)
                       : 3.34E-010 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.413e-005
       log Kow used: 8.87 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.012094 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.61E-013  atm-m3/mole  (5.69E-008 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:  1.585E-010 atm-m3/mole  (1.606E-005 Pa-m3/mole)
      VP:   3.27E-015 mm Hg (source: MPBPVP)
      WS:   1.41E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.87  (KowWin est)
  Log Kaw used:  -10.639  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.509
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5796
   Biowin2 (Non-Linear Model)     :   0.1667
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7206  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0976  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2624
   Biowin6 (MITI Non-Linear Model):   0.0004
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6373
 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):  3.35E-010 Pa (2.51E-012 mm Hg)
  Log Koa (Koawin est  ): 19.509
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.96E+003 
       Octanol/air (Koa) model:  7.93E+006 
   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 =  15.9214 E-12 cm3/molecule-sec
      Half-Life =     0.672 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.062 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    :  5.924E+005  L/kg (MCI method)
      Log Koc:  5.773       (MCI method)
      Koc    :  3.052E+005  L/kg (Kow method)
      Log Koc:  5.485       (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 = 3.209 (BCF = 1618 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.9200 days (HL = 831.8 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.816 (BCF = 654.6)
   Log BAF Arnot-Gobas method (upper trophic) = 6.450 (BAF = 2.82e+006)
       log Kow used: 8.87 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.61E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.381E+009  hours   (9.921E+007 days)
    Half-Life from Model Lake : 2.597E+010  hours   (1.082E+009 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       0.0577          16.1         1000       
   Water     4.33            4.32e+003    1000       
   Soil      87.1            8.64e+003    1000       
   Sediment  8.52            3.89e+004    0          
     Persistence Time: 6.5e+003 hr