CAS Number: 520-27-4
SMILES : Oc1cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc2c1C(=O)(C=C(c3ccc(OC)
         c(O)c3)O2)
CHEM   : Diosmine
MOL FOR: C28 H32 O15 
MOL WT : 608.56
------------------------------ EPI SUMMARY (v4.10) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  -0.48
    Log Kow (Exper. database match) =  0.14
       Exper. Ref:  PERRISSOUD,D & TESTA,B (1986)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  867.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.32E-027  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.42E-025  (Modified Grain method)
    MP  (exp database):  274 dec deg C
    Subcooled liquid VP: 3.5E-024 mm Hg (25 deg C, Mod-Grain method)
                       : 4.66E-022 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  407.8
       log Kow used: 0.14 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones
       Vinyl/Allyl Ethers
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.82E-033  atm-m3/mole  (7.92E-028 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:  1.241E-029 atm-m3/mole  (1.257E-024 Pa-m3/mole)
      VP:   6.32E-027 mm Hg (source: MPBPVP)
      WS:   408 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.14  (exp database)
  Log Kaw used:  -30.495  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  30.635
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0023
   Biowin2 (Non-Linear Model)     :   0.2488
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7041  (weeks-months)
   Biowin4 (Primary Survey Model) :   4.0057  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9268
   Biowin6 (MITI Non-Linear Model):   0.0228
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8752
 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):  4.67E-022 Pa (3.5E-024 mm Hg)
  Log Koa (Koawin est  ): 30.635
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.43E+015 
       Octanol/air (Koa) model:  1.06E+018 
   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 = 351.1017 E-12 cm3/molecule-sec
      Half-Life =     0.030 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.934 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    10.500000 E-17 cm3/molecule-sec
      Half-Life =     0.109 Days (at 7E11 mol/cm3)
      Half-Life =      2.619 Hrs
   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    :  1980  L/kg (MCI method)
      Log Koc:  3.297       (MCI method)
      Koc    :  3.54  L/kg (Kow method)
      Log Koc:  0.549       (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) = -3.0909 days (HL = 0.0008112 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.036 (BCF = 0.9195)
   Log BAF Arnot-Gobas method (upper trophic) = -0.036 (BAF = 0.9195)
       log Kow used: 0.14 (expkow database)
 
 Volatilization from Water:
    Henry LC:  7.82E-033 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.847E+029  hours   (7.696E+027 days)
    Half-Life from Model Lake : 2.015E+030  hours   (8.395E+028 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       5.01e-009       0.571        1000       
   Water     11.3            900          1000       
   Soil      87.4            1.8e+003     1000       
   Sediment  1.27            8.1e+003     0          
     Persistence Time: 1.86e+003 hr