CAS Number: 1708-29-8
SMILES : O(CC=C1)C1
CHEM   : Furan, 2,5-dihydro-
MOL FOR: C4 H6 O1 
MOL WT : 70.09
------------------------------ 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) =  0.72
    Log Kow (Exper. database match) =  0.46
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  72.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -83.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  164  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.18E+004  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  66.5 deg C
    VP  (exp database):  1.58E+02 mm Hg (2.11E+004 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.477e+004
       log Kow used: 0.46 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  95193 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.89E-004  atm-m3/mole  (5.97E+001 Pa-m3/mole)
   Group Method:   1.44E-004  atm-m3/mole  (1.46E+001 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.761E-004 atm-m3/mole  (2.798E+001 Pa-m3/mole)
      VP:   164 mm Hg (source: MPBPVP)
      WS:   5.48E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.46  (exp database)
  Log Kaw used:  -1.618  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.078
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3668
   Biowin2 (Non-Linear Model)     :   0.1953
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0356  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7369  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5569
   Biowin6 (MITI Non-Linear Model):   0.7161
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1918
 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):  2.11E+004 Pa (158 mm Hg)
  Log Koa (Koawin est  ): 2.078
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.42E-010 
       Octanol/air (Koa) model:  2.94E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.14E-009 
       Mackay model           :  1.14E-008 
       Octanol/air (Koa) model:  2.35E-009 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  63.6927 E-12 cm3/molecule-sec
      Half-Life =     0.168 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.015 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec
      Half-Life =     0.057 Days (at 7E11 mol/cm3)
      Half-Life =      1.375 Hrs
   Fraction sorbed to airborne particulates (phi):
      8.27E-009 (Junge-Pankow, Mackay avg)
      2.35E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10.75  L/kg (MCI method)
      Log Koc:  1.031       (MCI method)
      Koc    :  12.27  L/kg (Kow method)
      Log Koc:  1.089       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2085 days (HL = 0.06188 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.046 (BCF = 1.111)
   Log BAF Arnot-Gobas method (upper trophic) = 0.046 (BAF = 1.111)
       log Kow used: 0.46 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.000144 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      4.258  hours
    Half-Life from Model Lake :      116.7  hours   (4.861 days)
 
 Removal In Wastewater Treatment:
    Total removal:               8.45  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.66  percent
    Total to Air:                6.70  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.1             3.26         1000       
   Water     43.3            360          1000       
   Soil      55.5            720          1000       
   Sediment  0.0988          3.24e+003    0          
     Persistence Time: 236 hr