CAS Num: 000108-88-3
SMILES : c(cccc1)(c1)C
CHEM   : Benzene, methyl-
MOL FOR: C7 H8 
MOL WT : 92.14
------------------------------ 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) =  2.54
    Log Kow (Exper. database match) =  2.73
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  125.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -59.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  23.7  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.16E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -94.9 deg C
    BP  (exp database):  110.6 deg C
    VP  (exp database):  2.84E+01 mm Hg (3.79E+003 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  573.1
       log Kow used: 2.73 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  526 mg/L (25 deg C)
        Exper. Ref:  SANEMASA,I ET AL. (1982)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  471.12 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.95E-003  atm-m3/mole  (6.02E+002 Pa-m3/mole)
   Group Method:   5.73E-003  atm-m3/mole  (5.81E+002 Pa-m3/mole)
   Exper Database: 6.64E-03  atm-m3/mole  (6.73E+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:  5.014E-003 atm-m3/mole  (5.080E+002 Pa-m3/mole)
      VP:   23.7 mm Hg (source: MPBPVP)
      WS:   573 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.73  (exp database)
  Log Kaw used:  -0.566  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.296
      Log Koa (experimental database):  3.310

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8864
   Biowin2 (Non-Linear Model)     :   0.9833
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9427  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6512  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5206
   Biowin6 (MITI Non-Linear Model):   0.6843
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2053
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6526
     BioHC Half-Life (days)     :   4.4937

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.79E+003 Pa (28.4 mm Hg)
  Log Koa (Exp database): 3.310
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.92E-010 
       Octanol/air (Koa) model:  5.01E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.86E-008 
       Mackay model           :  6.34E-008 
       Octanol/air (Koa) model:  4.01E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.2263 E-12 cm3/molecule-sec
      Half-Life =     2.047 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    24.559 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.6E-008 (Junge-Pankow, Mackay avg)
      4.01E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  233.9  L/kg (MCI method)
      Log Koc:  2.369       (MCI method)
      Koc    :  233.9  L/kg (Kow method)
      Log Koc:  2.369       (Kow method)
       Experimental Log Koc:  2.07  (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 = 1.468 (BCF = 29.39 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5424 days (HL = 0.2868 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.577 (BCF = 37.79)
   Log BAF Arnot-Gobas method (upper trophic) = 1.577 (BAF = 37.79)
       log Kow used: 2.73 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00664 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.064  hours
    Half-Life from Model Lake :       92.1  hours   (3.837 days)

 Removal In Wastewater Treatment:
    Total removal:              72.77  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     2.15  percent
    Total to Air:               70.57  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       19              43           1000       
   Water     41.2            360          1000       
   Soil      39.4            720          1000       
   Sediment  0.443           3.24e+003    0          
     Persistence Time: 153 hr