CAS Num: 002628-17-3
SMILES : Oc(ccc(c1)C=C)c1
CHEM   : p-Vinylphenol
MOL FOR: C8 H8 O1 
MOL WT : 120.15
------------------------------ 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) =  2.41

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  209.22  (Adapted Stein & Brown method)
    Melting Pt (deg C):  25.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0362  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.83  (Modified Grain method)
    MP  (exp database):  73.5 deg C
    VP  (exp database):  1.40E-02 mm Hg (1.87E+000 Pa) at 25 deg C
    Subcooled liquid VP: 0.0422 mm Hg (25 deg C, exp database VP )
                       : 5.63 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3302
       log Kow used: 2.41 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5246.9 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.88E-007  atm-m3/mole  (2.91E-002 Pa-m3/mole)
   Group Method:   3.46E-007  atm-m3/mole  (3.50E-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:  1.733E-006 atm-m3/mole  (1.756E-001 Pa-m3/mole)
      VP:   0.0362 mm Hg (source: MPBPVP)
      WS:   3.3E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.41  (KowWin est)
  Log Kaw used:  -4.929  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.339
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8062
   Biowin2 (Non-Linear Model)     :   0.9012
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9900  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7141  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4704
   Biowin6 (MITI Non-Linear Model):   0.5279
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3145
 Ready Biodegradability Prediction:   NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.63 Pa (0.0422 mm Hg)
  Log Koa (Koawin est  ): 7.339
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.33E-007 
       Octanol/air (Koa) model:  5.36E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.93E-005 
       Mackay model           :  4.27E-005 
       Octanol/air (Koa) model:  0.000428 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  57.7729 E-12 cm3/molecule-sec
      Half-Life =     0.185 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.222 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec
      Half-Life =     0.546 Days (at 7E11 mol/cm3)
      Half-Life =     13.097 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      3.1E-005 (Junge-Pankow, Mackay avg)
      0.000428 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  573  L/kg (MCI method)
      Log Koc:  2.758       (MCI method)
      Koc    :  266.1  L/kg (Kow method)
      Log Koc:  2.425       (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 = 1.260 (BCF = 18.21 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6414 days (HL = 0.2283 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.319 (BCF = 20.82)
   Log BAF Arnot-Gobas method (upper trophic) = 1.319 (BAF = 20.82)
       log Kow used: 2.41 (estimated)

 Volatilization from Water:
    Henry LC:  3.46E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1856  hours   (77.33 days)
    Half-Life from Model Lake : 2.034E+004  hours   (847.4 days)

 Removal In Wastewater Treatment:
    Total removal:               2.88  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.76  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.314           3.32         1000       
   Water     24.8            360          1000       
   Soil      74.4            720          1000       
   Sediment  0.545           3.24e+003    0          
     Persistence Time: 470 hr