CAS Number: 67363-95-5
SMILES : CCc1cocc1
CHEM   : 3-ethylfuran
MOL FOR: C6 H8 O1 
MOL WT : 96.13
------------------------------ 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) =  2.40
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  108.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -55.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  25.9  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.46E+003  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1068
       log Kow used: 2.40 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1559.6 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.88E-003  atm-m3/mole  (7.98E+002 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:  3.067E-003 atm-m3/mole  (3.108E+002 Pa-m3/mole)
      VP:   25.9 mm Hg (source: MPBPVP)
      WS:   1.07E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.40  (KowWin est)
  Log Kaw used:  -0.492  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.892
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7565
   Biowin2 (Non-Linear Model)     :   0.9021
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9119  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6405  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3955
   Biowin6 (MITI Non-Linear Model):   0.5014
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3484
 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):  3.25E+003 Pa (24.4 mm Hg)
  Log Koa (Koawin est  ): 2.892
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.22E-010 
       Octanol/air (Koa) model:  1.91E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.33E-008 
       Mackay model           :  7.38E-008 
       Octanol/air (Koa) model:  1.53E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 101.7377 E-12 cm3/molecule-sec
      Half-Life =     0.105 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.262 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      5.35E-008 (Junge-Pankow, Mackay avg)
      1.53E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  244.8  L/kg (MCI method)
      Log Koc:  2.389       (MCI method)
      Koc    :  120.9  L/kg (Kow method)
      Log Koc:  2.083       (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 = 1.251 (BCF = 17.83 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5169 days (HL = 0.3042 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.338 (BCF = 21.77)
   Log BAF Arnot-Gobas method (upper trophic) = 1.338 (BAF = 21.77)
       log Kow used: 2.40 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00788 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.073  hours
    Half-Life from Model Lake :      93.92  hours   (3.913 days)
 
 Removal In Wastewater Treatment:
    Total removal:              75.79  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     1.31  percent
    Total to Air:               74.45  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.23            2.52         1000       
   Water     52.2            360          1000       
   Soil      45              720          1000       
   Sediment  0.58            3.24e+003    0          
     Persistence Time: 120 hr