CAS Number: 1330-20-7
SMILES : Cc1ccccc1C
CHEM   : Benzene, dimethyl-
MOL FOR: C8 H10 
MOL WT : 106.17
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  3.09
    Log Kow (Exper. database match) =  3.12
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  148.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -40.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.81  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  908  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -25.2 deg C
    BP  (exp database):  138.5 deg C
    VP  (exp database):  7.99E+00 mm Hg (1.07E+003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  242.4
       log Kow used: 3.12 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  178 mg/L (25 deg C)
        Exper. Ref:  SANEMASA,I ET AL. (1982)
     Water Sol (Exper. database match) =  106 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  161.92 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.56E-003  atm-m3/mole  (6.65E+002 Pa-m3/mole)
   Group Method:   6.14E-003  atm-m3/mole  (6.23E+002 Pa-m3/mole)
   Exper Database: 5.18E-03  atm-m3/mole  (5.25E+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:  3.925E-003 atm-m3/mole  (3.977E+002 Pa-m3/mole)
      VP:   6.81 mm Hg (source: MPBPVP)
      WS:   242 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.12  (exp database)
  Log Kaw used:  -0.674  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.794
      Log Koa (experimental database):  3.910
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8063
   Biowin2 (Non-Linear Model)     :   0.9343
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8149  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5575  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5121
   Biowin6 (MITI Non-Linear Model):   0.6355
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2892
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6475
     BioHC Half-Life (days)     :   4.4415
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.07E+003 Pa (7.99 mm Hg)
  Log Koa (Exp database): 3.910
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.82E-009 
       Octanol/air (Koa) model:  2E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.02E-007 
       Mackay model           :  2.25E-007 
       Octanol/air (Koa) model:  1.6E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.5119 E-12 cm3/molecule-sec
      Half-Life =     1.643 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.710 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.63E-007 (Junge-Pankow, Mackay avg)
      1.6E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  382.9  L/kg (MCI method)
      Log Koc:  2.583       (MCI method)
      Koc    :  509.9  L/kg (Kow method)
      Log Koc:  2.707       (Kow method)
       Experimental Log Koc:  2.25  (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 = 1.726 (BCF = 53.16 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0308 days (HL = 0.9315 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.012 (BCF = 102.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.012 (BAF = 102.7)
       log Kow used: 3.12 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.00518 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.168  hours
    Half-Life from Model Lake :      99.14  hours   (4.131 days)
 
 Removal In Wastewater Treatment:
    Total removal:              68.35  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     4.38  percent
    Total to Air:               63.91  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       8.29            18.7         1000       
   Water     34.5            360          1000       
   Soil      56.7            720          1000       
   Sediment  0.546           3.24e+003    0          
     Persistence Time: 183 hr