CAS Num: 004265-25-2
SMILES : Cc2cc1ccccc1o2
CHEM   : 2-Methylbenzofuran
MOL FOR: C9 H8 O1 
MOL WT : 132.16
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.09
    Log Kow (Exper. database match) =  3.22
       Exper. Ref:  SANGSTER (1993)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  217.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  16.26  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.409  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  54.5  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  197.5 deg C
    VP  (exp database):  4.87E-01 mm Hg (6.49E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  160.4
       log Kow used: 3.22 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  130.81 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.79E-004  atm-m3/mole  (5.87E+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:  4.434E-004 atm-m3/mole  (4.493E+001 Pa-m3/mole)
      VP:   0.409 mm Hg (source: MPBPVP)
      WS:   160 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.22  (exp database)
  Log Kaw used:  -1.626  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.846
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7393
   Biowin2 (Non-Linear Model)     :   0.8467
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8323  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5885  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4015
   Biowin6 (MITI Non-Linear Model):   0.4057
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0128
 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):  64.9 Pa (0.487 mm Hg)
  Log Koa (Koawin est  ): 4.846
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.62E-008 
       Octanol/air (Koa) model:  1.72E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.67E-006 
       Mackay model           :  3.7E-006 
       Octanol/air (Koa) model:  1.38E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  97.5113 E-12 cm3/molecule-sec
      Half-Life =     0.110 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.316 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.68E-006 (Junge-Pankow, Mackay avg)
      1.38E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1360  L/kg (MCI method)
      Log Koc:  3.133       (MCI method)
      Koc    :  622.6  L/kg (Kow method)
      Log Koc:  2.794       (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 = 1.792 (BCF = 61.88 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3985 days (HL = 0.3995 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.930 (BCF = 85.15)
   Log BAF Arnot-Gobas method (upper trophic) = 1.930 (BAF = 85.15)
       log Kow used: 3.22 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000579 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.336  hours
    Half-Life from Model Lake :      121.9  hours   (5.078 days)

 Removal In Wastewater Treatment:
    Total removal:              26.03  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     7.11  percent
    Total to Air:               18.80  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.445           2.63         1000       
   Water     18.1            360          1000       
   Soil      80.6            720          1000       
   Sediment  0.837           3.24e+003    0          
     Persistence Time: 396 hr