CAS Number: 25013-15-4
SMILES : C=Cc1cc(C)ccc1
CHEM   : Vinyl toluene
MOL FOR: C9 H10 
MOL WT : 118.18
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  3.44
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  168.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -30.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.08  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  277  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -86.3 deg C
    BP  (exp database):  164 deg C
    VP  (exp database):  1.70E+00 mm Hg (2.27E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  117.1
       log Kow used: 3.44 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  89 mg/L (25 deg C)
        Exper. Ref:  YAWS,CL ET AL. (1990)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  54.156 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.05E-003  atm-m3/mole  (3.09E+002 Pa-m3/mole)
   Group Method:   3.01E-003  atm-m3/mole  (3.05E+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:  2.762E-003 atm-m3/mole  (2.799E+002 Pa-m3/mole)
      VP:   2.08 mm Hg (source: MPBPVP)
      WS:   117 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.44  (KowWin est)
  Log Kaw used:  -0.904  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.344
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7460
   Biowin2 (Non-Linear Model)     :   0.8708
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8632  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6087  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4535
   Biowin6 (MITI Non-Linear Model):   0.4968
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1380
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5907
     BioHC Half-Life (days)     :   3.8971
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  227 Pa (1.7 mm Hg)
  Log Koa (Koawin est  ): 4.344
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.32E-008 
       Octanol/air (Koa) model:  5.42E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.78E-007 
       Mackay model           :  1.06E-006 
       Octanol/air (Koa) model:  4.34E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.2216 E-12 cm3/molecule-sec
      Half-Life =     0.343 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.111 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):
      7.68E-007 (Junge-Pankow, Mackay avg)
      4.34E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  715.8  L/kg (MCI method)
      Log Koc:  2.855       (MCI method)
      Koc    :  966.4  L/kg (Kow method)
      Log Koc:  2.985       (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 = 1.938 (BCF = 86.74 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2431 days (HL = 1.75 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.321 (BCF = 209.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.321 (BAF = 209.6)
       log Kow used: 3.44 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00301 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.321  hours
    Half-Life from Model Lake :      105.6  hours   (4.398 days)
 
 Removal In Wastewater Treatment:
    Total removal:              58.19  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     8.66  percent
    Total to Air:               49.43  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.57            5.05         1000       
   Water     23.9            360          1000       
   Soil      73.9            720          1000       
   Sediment  0.634           3.24e+003    0          
     Persistence Time: 268 hr