CAS Number: 767-99-7
SMILES : c(ccc1C(=CC)C)cc1
CHEM   : BENZENE, (1-METHYL-1-PROPENYL)-, (Z)-
MOL FOR: C10 H12 
MOL WT : 132.21
------------------------------ 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) =  3.85
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  191.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -32.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.47  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  62.6  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -23.5 deg C
    BP  (exp database):  194.7 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  46
       log Kow used: 3.85 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  60.18 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.79E-003  atm-m3/mole  (6.88E+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:  1.777E-003 atm-m3/mole  (1.801E+002 Pa-m3/mole)
      VP:   0.47 mm Hg (source: MPBPVP)
      WS:   46 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.85  (KowWin est)
  Log Kaw used:  -0.557  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.407
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8127
   Biowin2 (Non-Linear Model)     :   0.9493
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9290  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6619  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3669
   Biowin6 (MITI Non-Linear Model):   0.3491
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3444
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4153
     BioHC Half-Life (days)     :   2.6021
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  57.1 Pa (0.428 mm Hg)
  Log Koa (Koawin est  ): 4.407
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.26E-008 
       Octanol/air (Koa) model:  6.27E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.9E-006 
       Mackay model           :  4.21E-006 
       Octanol/air (Koa) model:  5.01E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  89.0052 E-12 cm3/molecule-sec
      Half-Life =     0.120 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.442 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    88.724998 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     18.599 Min
   Fraction sorbed to airborne particulates (phi):
      3.05E-006 (Junge-Pankow, Mackay avg)
      5.01E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1331  L/kg (MCI method)
      Log Koc:  3.124       (MCI method)
      Koc    :  2193  L/kg (Kow method)
      Log Koc:  3.341       (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 = 2.210 (BCF = 162.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1987 days (HL = 1.58 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.548 (BCF = 352.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.548 (BAF = 353.3)
       log Kow used: 3.85 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00679 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.272  hours
    Half-Life from Model Lake :      110.3  hours   (4.596 days)
 
 Removal In Wastewater Treatment:
    Total removal:              76.59  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:    16.37  percent
    Total to Air:               60.10  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.104           0.28         1000       
   Water     25.3            360          1000       
   Soil      73.5            720          1000       
   Sediment  1.15            3.24e+003    0          
     Persistence Time: 248 hr