CAS Num: 004466-24-4
SMILES : o1c(CCCC)ccc1
CHEM   : 2-BUTYLFURAN
MOL FOR: C8 H12 O1 
MOL WT : 124.18
------------------------------ 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) =  3.38

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  154.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -30.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.31  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  442  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  124.9
       log Kow used: 3.38 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  169.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.39E-002  atm-m3/mole  (1.41E+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:  4.330E-003 atm-m3/mole  (4.388E+002 Pa-m3/mole)
      VP:   3.31 mm Hg (source: MPBPVP)
      WS:   125 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.38  (KowWin est)
  Log Kaw used:  -0.245  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.625
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8515
   Biowin2 (Non-Linear Model)     :   0.9751
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1482  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8691  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4109
   Biowin6 (MITI Non-Linear Model):   0.5137
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0827
 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):  403 Pa (3.02 mm Hg)
  Log Koa (Koawin est  ): 3.625
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.45E-009 
       Octanol/air (Koa) model:  1.04E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.69E-007 
       Mackay model           :  5.96E-007 
       Octanol/air (Koa) model:  8.28E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 104.5143 E-12 cm3/molecule-sec
      Half-Life =     0.102 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.228 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      4.33E-007 (Junge-Pankow, Mackay avg)
      8.28E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  813.1  L/kg (MCI method)
      Log Koc:  2.910       (MCI method)
      Koc    :  857.2  L/kg (Kow method)
      Log Koc:  2.933       (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 = 1.899 (BCF = 79.31 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2045 days (HL = 0.6245 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.111 (BCF = 129.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.111 (BAF = 129.1)
       log Kow used: 3.38 (estimated)

 Volatilization from Water:
    Henry LC:  0.0139 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.184  hours
    Half-Life from Model Lake :      106.4  hours   (4.432 days)

 Removal In Wastewater Treatment:
    Total removal:              85.15  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     6.23  percent
    Total to Air:               78.86  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.63            2.46         1000       
   Water     40.4            360          1000       
   Soil      56.8            720          1000       
   Sediment  1.19            3.24e+003    0          
     Persistence Time: 154 hr