CAS Num: 000098-82-8
SMILES : c(cccc1)(c1)C(C)C
CHEM   : Benzene, (1-methylethyl)-
MOL FOR: C9 H12 
MOL WT : 120.20
------------------------------ 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) =  3.45
    Log Kow (Exper. database match) =  3.66
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  157.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -46.26  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.59  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  478  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -96.0 deg C
    BP  (exp database):  152.4 deg C
    VP  (exp database):  4.50E+00 mm Hg (6.00E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  75.03
       log Kow used: 3.66 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  61.3 mg/L (25 deg C)
        Exper. Ref:  SANEMASA,I ET AL. (1982)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  86.85 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.05E-002  atm-m3/mole  (1.06E+003 Pa-m3/mole)
   Group Method:   1.23E-002  atm-m3/mole  (1.24E+003 Pa-m3/mole)
   Exper Database: 1.15E-02  atm-m3/mole  (1.17E+003 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:  7.567E-003 atm-m3/mole  (7.668E+002 Pa-m3/mole)
      VP:   3.59 mm Hg (source: MPBPVP)
      WS:   75 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.66  (exp database)
  Log Kaw used:  -0.328  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.988
      Log Koa (experimental database):  3.980

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8731
   Biowin2 (Non-Linear Model)     :   0.9754
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8807  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6107  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3867
   Biowin6 (MITI Non-Linear Model):   0.4894
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3366
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.0270
     BioHC Half-Life (days)     :  10.6425

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  600 Pa (4.5 mm Hg)
  Log Koa (Exp database): 3.980
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5E-009 
       Octanol/air (Koa) model:  2.34E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.81E-007 
       Mackay model           :  4E-007 
       Octanol/air (Koa) model:  1.88E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.9005 E-12 cm3/molecule-sec
      Half-Life =     1.550 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    18.600 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.9E-007 (Junge-Pankow, Mackay avg)
      1.88E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  697.8  L/kg (MCI method)
      Log Koc:  2.844       (MCI method)
      Koc    :  1500  L/kg (Kow method)
      Log Koc:  3.176       (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 = 2.082 (BCF = 120.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2141 days (HL = 0.6108 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.225 (BCF = 167.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.225 (BAF = 167.8)
       log Kow used: 3.66 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0115 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.175  hours
    Half-Life from Model Lake :      104.7  hours   (4.364 days)

 Removal In Wastewater Treatment:
    Total removal:              83.38  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:    10.89  percent
    Total to Air:               72.42  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       14.7            39.5         1000       
   Water     34.6            360          1000       
   Soil      49.8            720          1000       
   Sediment  0.897           3.24e+003    0          
     Persistence Time: 180 hr