CAS Num: 000100-42-5
SMILES : c(cccc1)(c1)C=C
CHEM   : Benzene, ethenyl-
MOL FOR: C8 H8 
MOL WT : 104.15
------------------------------ 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) =  2.89
    Log Kow (Exper. database match) =  2.95
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  146.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -48.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.05  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  674  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -31 deg C
    BP  (exp database):  145 deg C
    VP  (exp database):  6.40E+00 mm Hg (8.53E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  343.7
       log Kow used: 2.95 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  310 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  160.01 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.76E-003  atm-m3/mole  (2.80E+002 Pa-m3/mole)
   Group Method:   2.81E-003  atm-m3/mole  (2.85E+002 Pa-m3/mole)
   Exper Database: 2.75E-03  atm-m3/mole  (2.79E+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:  2.014E-003 atm-m3/mole  (2.040E+002 Pa-m3/mole)
      VP:   5.05 mm Hg (source: MPBPVP)
      WS:   344 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.95  (exp database)
  Log Kaw used:  -0.949  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.899
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8261
   Biowin2 (Non-Linear Model)     :   0.9654
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9910  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7024  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4619
   Biowin6 (MITI Non-Linear Model):   0.5511
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3565
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5958
     BioHC Half-Life (days)     :   3.9429

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  853 Pa (6.4 mm Hg)
  Log Koa (Koawin est  ): 3.899
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.52E-009 
       Octanol/air (Koa) model:  1.95E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.27E-007 
       Mackay model           :  2.81E-007 
       Octanol/air (Koa) model:  1.56E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.1332 E-12 cm3/molecule-sec
      Half-Life =     0.380 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.562 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
   Fraction sorbed to airborne particulates (phi):
      2.04E-007 (Junge-Pankow, Mackay avg)
      1.56E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  446.1  L/kg (MCI method)
      Log Koc:  2.649       (MCI method)
      Koc    :  363  L/kg (Kow method)
      Log Koc:  2.560       (Kow method)
       Experimental Log Koc:  2.96  (database)

 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 = 1.613 (BCF = 41.06 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3000 days (HL = 0.5012 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.810 (BCF = 64.56)
   Log BAF Arnot-Gobas method (upper trophic) = 1.810 (BAF = 64.56)
       log Kow used: 2.95 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00275 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.259  hours
    Half-Life from Model Lake :       99.3  hours   (4.138 days)

 Removal In Wastewater Treatment:
    Total removal:              54.06  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     3.67  percent
    Total to Air:               50.32  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.25            3.28         1000       
   Water     27.5            360          1000       
   Soil      70.8            720          1000       
   Sediment  0.492           3.24e+003    0          
     Persistence Time: 235 hr