CAS Number: 110-87-2
SMILES : O(C=CCC1)C1
CHEM   : 2H-Pyran, 3,4-dihydro-
MOL FOR: C5 H8 O1 
MOL WT : 84.12
------------------------------ 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) =  1.21
    Log Kow (Exper. database match) =  0.69
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  99.44  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -71.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  76.1  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.01E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -70 deg C
    BP  (exp database):  86 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.306e+004
       log Kow used: 0.69 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  53333 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 :   5.26E-003  atm-m3/mole  (5.33E+002 Pa-m3/mole)
   Group Method:   7.56E-004  atm-m3/mole  (7.66E+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:  2.548E-004 atm-m3/mole  (2.582E+001 Pa-m3/mole)
      VP:   76.1 mm Hg (source: MPBPVP)
      WS:   3.31E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.69  (exp database)
  Log Kaw used:  -0.667  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.357
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3601
   Biowin2 (Non-Linear Model)     :   0.1659
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0046  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7166  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5349
   Biowin6 (MITI Non-Linear Model):   0.6806
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0717
 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):  9.79E+003 Pa (73.4 mm Hg)
  Log Koa (Koawin est  ): 1.357
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.07E-010 
       Octanol/air (Koa) model:  5.58E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.11E-008 
       Mackay model           :  2.45E-008 
       Octanol/air (Koa) model:  4.47E-010 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  85.4975 E-12 cm3/molecule-sec
      Half-Life =     0.125 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.501 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.687500 E-17 cm3/molecule-sec
      Half-Life =     0.201 Days (at 7E11 mol/cm3)
      Half-Life =      4.836 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.78E-008 (Junge-Pankow, Mackay avg)
      4.47E-010 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  19.59  L/kg (MCI method)
      Log Koc:  1.292       (MCI method)
      Koc    :  16.45  L/kg (Kow method)
      Log Koc:  1.216       (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) = -1.0775 days (HL = 0.08366 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.111 (BCF = 1.292)
   Log BAF Arnot-Gobas method (upper trophic) = 0.111 (BAF = 1.292)
       log Kow used: 0.69 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.000756 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.646  hours
    Half-Life from Model Lake :      94.86  hours   (3.953 days)
 
 Removal In Wastewater Treatment:
    Total removal:              25.79  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.40  percent
    Total to Air:               24.31  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.36            1.85         1000       
   Water     53.1            360          1000       
   Soil      45.3            720          1000       
   Sediment  0.141           3.24e+003    0          
     Persistence Time: 138 hr