CAS Num: 000625-86-5
SMILES : o1c(C)ccc1C
CHEM   : Furan, 2,5-dimethyl-
MOL FOR: C6 H8 O1 
MOL WT : 96.13
------------------------------ 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) =  2.46
    Log Kow (Exper. database match) =  2.24
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  108.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -48.91  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  49.4  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  6.59E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -62.8 deg C
    BP  (exp database):  93.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1466
       log Kow used: 2.24 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1602 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.55E-003  atm-m3/mole  (6.63E+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:  4.262E-003 atm-m3/mole  (4.319E+002 Pa-m3/mole)
      VP:   49.4 mm Hg (source: MPBPVP)
      WS:   1.47E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.24  (exp database)
  Log Kaw used:  -0.572  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.812
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8111
   Biowin2 (Non-Linear Model)     :   0.9426
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8370  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5720  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5255
   Biowin6 (MITI Non-Linear Model):   0.6468
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0983
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.31E+003 Pa (47.3 mm Hg)
  Log Koa (Koawin est  ): 2.812
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.76E-010 
       Octanol/air (Koa) model:  1.59E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.72E-008 
       Mackay model           :  3.81E-008 
       Octanol/air (Koa) model:  1.27E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 129.8810 E-12 cm3/molecule-sec
      Half-Life =     0.082 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.988 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      2.76E-008 (Junge-Pankow, Mackay avg)
      1.27E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  205.9  L/kg (MCI method)
      Log Koc:  2.314       (MCI method)
      Koc    :  87.84  L/kg (Kow method)
      Log Koc:  1.944       (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 = 1.145 (BCF = 13.96 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7377 days (HL = 0.183 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.159 (BCF = 14.42)
   Log BAF Arnot-Gobas method (upper trophic) = 1.159 (BAF = 14.42)
       log Kow used: 2.24 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00655 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.088  hours
    Half-Life from Model Lake :      94.08  hours   (3.92 days)

 Removal In Wastewater Treatment:
    Total removal:              72.30  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     1.16  percent
    Total to Air:               71.10  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.72            1.94         1000       
   Water     52.2            360          1000       
   Soil      45.6            720          1000       
   Sediment  0.509           3.24e+003    0          
     Persistence Time: 121 hr