CAS Number: 126654-91-9
SMILES : CCc1ccc(o1)C=C
CHEM   : 2-ethenyl-5-ethylfuran
MOL FOR: C8 H10 O1 
MOL WT : 122.17
------------------------------ 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) =  3.30
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  152.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -25.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.58  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  477  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  148.8
       log Kow used: 3.30 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  177.64 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.04E-003  atm-m3/mole  (4.09E+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:  3.868E-003 atm-m3/mole  (3.919E+002 Pa-m3/mole)
      VP:   3.58 mm Hg (source: MPBPVP)
      WS:   149 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.30  (KowWin est)
  Log Kaw used:  -0.782  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.082
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7441
   Biowin2 (Non-Linear Model)     :   0.8642
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8543  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6029  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3284
   Biowin6 (MITI Non-Linear Model):   0.3142
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2233
 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):  436 Pa (3.27 mm Hg)
  Log Koa (Koawin est  ): 4.082
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.88E-009 
       Octanol/air (Koa) model:  2.96E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.49E-007 
       Mackay model           :  5.5E-007 
       Octanol/air (Koa) model:  2.37E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 122.0152 E-12 cm3/molecule-sec
      Half-Life =     0.088 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.052 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
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      3.99E-007 (Junge-Pankow, Mackay avg)
      2.37E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  749.2  L/kg (MCI method)
      Log Koc:  2.875       (MCI method)
      Koc    :  730.6  L/kg (Kow method)
      Log Koc:  2.864       (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 = 1.846 (BCF = 70.21 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2763 days (HL = 0.5293 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.034 (BCF = 108.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.034 (BAF = 108.2)
       log Kow used: 3.30 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00404 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.288  hours
    Half-Life from Model Lake :      106.7  hours   (4.447 days)
 
 Removal In Wastewater Treatment:
    Total removal:              63.72  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     6.37  percent
    Total to Air:               57.27  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.671           1.81         1000       
   Water     26              360          1000       
   Soil      72.6            720          1000       
   Sediment  0.717           3.24e+003    0          
     Persistence Time: 244 hr