CAS Num: 000111-45-5
SMILES : O(CCO)CC=C
CHEM   : Ethanol, 2-(2-propenyloxy)-
MOL FOR: C5 H10 O2 
MOL WT : 102.13
------------------------------ 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) =  -0.06
    Log Kow (Exper. database match) =  -0.10
       Exper. Ref:  TANII,H ET AL. (1992)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  158.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -33.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.837  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  112  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  158.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.54e+005
       log Kow used: -0.10 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.7829e+005 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 :   5.50E-008  atm-m3/mole  (5.57E-003 Pa-m3/mole)
   Group Method:   1.07E-008  atm-m3/mole  (1.08E-003 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:  2.477E-007 atm-m3/mole  (2.510E-002 Pa-m3/mole)
      VP:   0.837 mm Hg (source: MPBPVP)
      WS:   4.54E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.10  (exp database)
  Log Kaw used:  -5.648  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.548
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5103
   Biowin2 (Non-Linear Model)     :   0.3201
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1248  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8201  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7377
   Biowin6 (MITI Non-Linear Model):   0.8639
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5690
 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):  99.6 Pa (0.747 mm Hg)
  Log Koa (Koawin est  ): 5.548
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.01E-008 
       Octanol/air (Koa) model:  8.67E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.09E-006 
       Mackay model           :  2.41E-006 
       Octanol/air (Koa) model:  6.94E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  43.1661 E-12 cm3/molecule-sec
      Half-Life =     0.248 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.973 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.75E-006 (Junge-Pankow, Mackay avg)
      6.94E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.549  L/kg (MCI method)
      Log Koc:  0.190       (MCI method)
      Koc    :  2.332  L/kg (Kow method)
      Log Koc:  0.368       (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) = -1.5454 days (HL = 0.02848 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.028 (BCF = 0.9381)
   Log BAF Arnot-Gobas method (upper trophic) = -0.028 (BAF = 0.9381)
       log Kow used: -0.10 (expkow database)

 Volatilization from Water:
    Henry LC:  1.07E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:  5.53E+004  hours   (2304 days)
    Half-Life from Model Lake : 6.033E+005  hours   (2.514E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.177           4.72         1000       
   Water     39.6            360          1000       
   Soil      60.1            720          1000       
   Sediment  0.075           3.24e+003    0          
     Persistence Time: 496 hr