CAS Number: 271-89-6
SMILES : c1ccc2ccoc2c1
CHEM   : Benzofuran
MOL FOR: C8 H6 O1 
MOL WT : 118.14
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  2.54
    Log Kow (Exper. database match) =  2.67
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  198.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -1.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.29  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  172  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  <-18 deg C
    BP  (exp database):  174 deg C
    VP  (exp database):  4.40E-01 mm Hg (5.87E+001 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  534.8
       log Kow used: 2.67 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  392 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.25E-004  atm-m3/mole  (5.32E+001 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:  3.750E-004 atm-m3/mole  (3.799E+001 Pa-m3/mole)
      VP:   1.29 mm Hg (source: MPBPVP)
      WS:   535 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.67  (exp database)
  Log Kaw used:  -1.668  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.338
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6913
   Biowin2 (Non-Linear Model)     :   0.7910
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9381  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6773  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4100
   Biowin6 (MITI Non-Linear Model):   0.4591
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2635
 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):  58.7 Pa (0.44 mm Hg)
  Log Koa (Koawin est  ): 4.338
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.11E-008 
       Octanol/air (Koa) model:  5.35E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.85E-006 
       Mackay model           :  4.09E-006 
       Octanol/air (Koa) model:  4.28E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  37.3000 E-12 cm3/molecule-sec
      Half-Life =     0.287 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.441 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.97E-006 (Junge-Pankow, Mackay avg)
      4.28E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  847.4  L/kg (MCI method)
      Log Koc:  2.928       (MCI method)
      Koc    :  207.4  L/kg (Kow method)
      Log Koc:  2.317       (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 v3.00):
   Log BCF from regression-based method = 1.429 (BCF = 26.83 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3561 days (HL = 0.4405 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.588 (BCF = 38.69)
   Log BAF Arnot-Gobas method (upper trophic) = 1.588 (BAF = 38.69)
       log Kow used: 2.67 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.000525 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.321  hours
    Half-Life from Model Lake :      116.5  hours   (4.853 days)
 
 Removal In Wastewater Treatment:
    Total removal:              21.60  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     3.15  percent
    Total to Air:               18.36  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.14            6.88         1000       
   Water     18.8            360          1000       
   Soil      79.5            720          1000       
   Sediment  0.575           3.24e+003    0          
     Persistence Time: 388 hr