CAS Number: 7522-79-4
SMILES : c(ccc1c2)cc1oc2C=C
CHEM   : BENZOFURAN, 2-ETHENYL-
MOL FOR: C10 H8 O1 
MOL WT : 144.17
------------------------------ 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) =  3.44
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  235.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  26.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0557  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.43  (Modified Grain method)
    Subcooled liquid VP: 0.0569 mm Hg (25 deg C, Mod-Grain method)
                       : 7.59 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  92.67
       log Kow used: 3.44 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  42.876 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.69E-004  atm-m3/mole  (2.73E+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:  1.140E-004 atm-m3/mole  (1.155E+001 Pa-m3/mole)
      VP:   0.0557 mm Hg (source: MPBPVP)
      WS:   92.7 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.44  (KowWin est)
  Log Kaw used:  -1.959  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.399
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6789
   Biowin2 (Non-Linear Model)     :   0.7234
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8806  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6397  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3429
   Biowin6 (MITI Non-Linear Model):   0.2788
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1384
 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):  7.59 Pa (0.0569 mm Hg)
  Log Koa (Koawin est  ): 5.399
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.95E-007 
       Octanol/air (Koa) model:  6.15E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.43E-005 
       Mackay model           :  3.16E-005 
       Octanol/air (Koa) model:  4.92E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  61.3678 E-12 cm3/molecule-sec
      Half-Life =     0.174 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.092 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec
      Half-Life =     0.546 Days (at 7E11 mol/cm3)
      Half-Life =     13.097 Hrs
   Fraction sorbed to airborne particulates (phi):
      2.3E-005 (Junge-Pankow, Mackay avg)
      4.92E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2593  L/kg (MCI method)
      Log Koc:  3.414       (MCI method)
      Koc    :  966.4  L/kg (Kow method)
      Log Koc:  2.985       (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 = 1.937 (BCF = 86.53 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1558 days (HL = 0.6985 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.164 (BCF = 146)
   Log BAF Arnot-Gobas method (upper trophic) = 2.165 (BAF = 146.1)
       log Kow used: 3.44 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000269 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.839  hours
    Half-Life from Model Lake :      142.6  hours   (5.94 days)
 
 Removal In Wastewater Treatment:
    Total removal:              21.13  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    10.95  percent
    Total to Air:               10.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.454           3.17         1000       
   Water     18.5            360          1000       
   Soil      79.5            720          1000       
   Sediment  1.54            3.24e+003    0          
     Persistence Time: 426 hr