CAS Number: 1746-13-0
SMILES : O(c(cccc1)c1)CC=C
CHEM   : Benzene, (2-propenyloxy)-
MOL FOR: C9 H10 O1 
MOL WT : 134.18
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  2.92
    Log Kow (Exper. database match) =  2.94
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  190.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -18.89  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.545  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  72.6  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  191.7 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  273
       log Kow used: 2.94 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  94.428 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 :   4.18E-004  atm-m3/mole  (4.24E+001 Pa-m3/mole)
   Group Method:   6.00E-003  atm-m3/mole  (6.08E+002 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:  3.525E-004 atm-m3/mole  (3.571E+001 Pa-m3/mole)
      VP:   0.545 mm Hg (source: MPBPVP)
      WS:   273 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.94  (exp database)
  Log Kaw used:  -1.767  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.707
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9437
   Biowin2 (Non-Linear Model)     :   0.9942
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8665  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7362  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6173
   Biowin6 (MITI Non-Linear Model):   0.7485
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5606
 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):  66.1 Pa (0.496 mm Hg)
  Log Koa (Koawin est  ): 4.707
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.54E-008 
       Octanol/air (Koa) model:  1.25E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.64E-006 
       Mackay model           :  3.63E-006 
       Octanol/air (Koa) model:  1E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  53.5014 E-12 cm3/molecule-sec
      Half-Life =     0.200 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.399 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):
      2.63E-006 (Junge-Pankow, Mackay avg)
      1E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  310.2  L/kg (MCI method)
      Log Koc:  2.492       (MCI method)
      Koc    :  404.8  L/kg (Kow method)
      Log Koc:  2.607       (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 v3.01):
   Log BCF from regression-based method = 1.607 (BCF = 40.44 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4253 days (HL = 0.3756 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.759 (BCF = 57.38)
   Log BAF Arnot-Gobas method (upper trophic) = 1.759 (BAF = 57.38)
       log Kow used: 2.94 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.295  hours
    Half-Life from Model Lake :      111.3  hours   (4.636 days)
 
 Removal In Wastewater Treatment:
    Total removal:              71.00  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     3.10  percent
    Total to Air:               67.85  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.69            3.97         1000       
   Water     42.5            360          1000       
   Soil      54.3            720          1000       
   Sediment  0.568           3.24e+003    0          
     Persistence Time: 148 hr