CAS Number: 487-26-3
SMILES : c1ccc2C(=O)CC(c3ccccc3)Oc2c1
CHEM   : Flavanone
MOL FOR: C15 H12 O2 
MOL WT : 224.26
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  3.28
    Log Kow (Exper. database match) =  3.14
       Exper. Ref:  BEYELER,S ET AL. 1988
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  355.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  116.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.06E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00407  (Modified Grain method)
    MP  (exp database):  77 deg C
    Subcooled liquid VP: 9.53E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0127 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  68.01
       log Kow used: 3.14 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  19.785 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.07E-008  atm-m3/mole  (2.09E-003 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:  1.328E-007 atm-m3/mole  (1.345E-002 Pa-m3/mole)
      VP:   3.06E-005 mm Hg (source: MPBPVP)
      WS:   68 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.14  (exp database)
  Log Kaw used:  -6.072  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.212
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9076
   Biowin2 (Non-Linear Model)     :   0.9683
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6450  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5840  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4419
   Biowin6 (MITI Non-Linear Model):   0.4472
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1054
 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):  0.0127 Pa (9.53E-005 mm Hg)
  Log Koa (Koawin est  ): 9.212
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000236 
       Octanol/air (Koa) model:  0.0004 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00846 
       Mackay model           :  0.0185 
       Octanol/air (Koa) model:  0.031 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  71.2430 E-12 cm3/molecule-sec
      Half-Life =     0.150 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.802 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0135 (Junge-Pankow, Mackay avg)
      0.031 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1384  L/kg (MCI method)
      Log Koc:  3.141       (MCI method)
      Koc    :  819.3  L/kg (Kow method)
      Log Koc:  2.913       (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 = 1.154 (BCF = 14.25 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3269 days (HL = 0.471 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.921 (BCF = 83.36)
   Log BAF Arnot-Gobas method (upper trophic) = 1.921 (BAF = 83.36)
       log Kow used: 3.14 (expkow database)
 
 Volatilization from Water:
    Henry LC:  2.07E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.236E+004  hours   (1765 days)
    Half-Life from Model Lake : 4.622E+005  hours   (1.926E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.07  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.94  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       0.0764          3.6          1000       
   Water     14.8            900          1000       
   Soil      84              1.8e+003     1000       
   Sediment  1.14            8.1e+003     0          
     Persistence Time: 1.35e+003 hr