CAS Number: 26444-18-8
SMILES : C=C(c1ccccc1C)C
CHEM   : 1-methyl-2-prop-1-en-2-ylbenzene
MOL FOR: C10 H12 
MOL WT : 132.21
------------------------------ 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) =  3.99
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  183.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -26.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.23  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  164  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  175 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  35.29
       log Kow used: 3.99 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  28.913 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.78E-003  atm-m3/mole  (4.84E+002 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  6.063E-003 atm-m3/mole  (6.144E+002 Pa-m3/mole)
      VP:   1.23 mm Hg (source: MPBPVP)
      WS:   35.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.99  (KowWin est)
  Log Kaw used:  -0.709  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.699
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7393
   Biowin2 (Non-Linear Model)     :   0.8466
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8322  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5885  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4059
   Biowin6 (MITI Non-Linear Model):   0.3949
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1440
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5005
     BioHC Half-Life (days)     :   3.1659
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  149 Pa (1.12 mm Hg)
  Log Koa (Koawin est  ): 4.699
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.01E-008 
       Octanol/air (Koa) model:  1.23E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.26E-007 
       Mackay model           :  1.61E-006 
       Octanol/air (Koa) model:  9.82E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  56.4576 E-12 cm3/molecule-sec
      Half-Life =     0.189 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.273 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec
      Half-Life =     0.084 Days (at 7E11 mol/cm3)
      Half-Life =      2.015 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.17E-006 (Junge-Pankow, Mackay avg)
      9.82E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1142  L/kg (MCI method)
      Log Koc:  3.058       (MCI method)
      Koc    :  2901  L/kg (Kow method)
      Log Koc:  3.463       (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 = 2.299 (BCF = 199.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5216 days (HL = 3.323 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.770 (BCF = 588.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.772 (BAF = 591.5)
       log Kow used: 3.99 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00478 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.314  hours
    Half-Life from Model Lake :      110.7  hours   (4.615 days)
 
 Removal In Wastewater Treatment:
    Total removal:              72.14  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    21.73  percent
    Total to Air:               50.25  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.463           1.4          1000       
   Water     23.8            360          1000       
   Soil      74.8            720          1000       
   Sediment  0.942           3.24e+003    0          
     Persistence Time: 266 hr