CAS Number: 8007-45-2
SMILES : c1ccccc1
CHEM   : Tar, coal
MOL FOR: C6 H6 
MOL WT : 78.11
------------------------------ 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) =  1.99
    Log Kow (Exper. database match) =  2.13
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  102.24  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -77.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  87.2  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.16E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  5.5 deg C
    BP  (exp database):  80.0 deg C
    VP  (exp database):  9.48E+01 mm Hg (1.26E+004 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2000
       log Kow used: 2.13 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1790 mg/L (25 deg C)
        Exper. Ref:  MAY,WE ET AL. (1983)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1339 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.39E-003  atm-m3/mole  (5.46E+002 Pa-m3/mole)
   Group Method:   5.35E-003  atm-m3/mole  (5.42E+002 Pa-m3/mole)
   Exper Database: 5.55E-03  atm-m3/mole  (5.62E+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:  4.481E-003 atm-m3/mole  (4.540E+002 Pa-m3/mole)
      VP:   87.2 mm Hg (source: MPBPVP)
      WS:   2E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.13  (exp database)
  Log Kaw used:  -0.644  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.774
      Log Koa (experimental database):  2.780
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0296
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4406  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3922  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5291
   Biowin6 (MITI Non-Linear Model):   0.7294
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0000
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6577
     BioHC Half-Life (days)     :   4.5464
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.26E+004 Pa (94.8 mm Hg)
  Log Koa (Exp database): 2.780
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.37E-010 
       Octanol/air (Koa) model:  1.48E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.57E-009 
       Mackay model           :  1.9E-008 
       Octanol/air (Koa) model:  1.18E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.9498 E-12 cm3/molecule-sec
      Half-Life =     5.486 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    65.827 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.38E-008 (Junge-Pankow, Mackay avg)
      1.18E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  145.8  L/kg (MCI method)
      Log Koc:  2.164       (MCI method)
      Koc    :  70.51  L/kg (Kow method)
      Log Koc:  1.848       (Kow method)
       Experimental Log Koc:  1.75  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.072 (BCF = 11.81 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1880 days (HL = 1.542 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.170 (BCF = 14.79)
   Log BAF Arnot-Gobas method (upper trophic) = 1.170 (BAF = 14.79)
       log Kow used: 2.13 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.00555 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.9951  hours   (59.71 min)
    Half-Life from Model Lake :      84.96  hours   (3.54 days)
 
 Removal In Wastewater Treatment:
    Total removal:              68.94  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     1.11  percent
    Total to Air:               67.78  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       31.8            209          1000       
   Water     41.1            900          1000       
   Soil      26.7            1.8e+003     1000       
   Sediment  0.37            8.1e+003     0          
     Persistence Time: 197 hr