CAS Number: 108-90-7
SMILES : c(cccc1)(c1)CL
CHEM   : Benzene, chloro-
MOL FOR: C6 H5 CL1 
MOL WT : 112.56
------------------------------ 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) =  2.64
    Log Kow (Exper. database match) =  2.84
       Exper. Ref:  SANGSTER (1994)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  139.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -45.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.27  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.24E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -45.2 deg C
    BP  (exp database):  131.7 deg C
    VP  (exp database):  1.20E+01 mm Hg (1.60E+003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  400.5
       log Kow used: 2.84 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  498 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL (1982)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  392.21 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.99E-003  atm-m3/mole  (4.04E+002 Pa-m3/mole)
   Group Method:   4.55E-003  atm-m3/mole  (4.62E+002 Pa-m3/mole)
   Exper Database: 3.11E-03  atm-m3/mole  (3.15E+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:  3.428E-003 atm-m3/mole  (3.473E+002 Pa-m3/mole)
      VP:   9.27 mm Hg (source: MPBPVP)
      WS:   401 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.84  (exp database)
  Log Kaw used:  -0.896  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.736
      Log Koa (experimental database):  3.310
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6396
   Biowin2 (Non-Linear Model)     :   0.7674
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7658  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5249  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4245
   Biowin6 (MITI Non-Linear Model):   0.4153
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1748
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.6E+003 Pa (12 mm Hg)
  Log Koa (Exp database): 3.310
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.87E-009 
       Octanol/air (Koa) model:  5.01E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.77E-008 
       Mackay model           :  1.5E-007 
       Octanol/air (Koa) model:  4.01E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.3716 E-12 cm3/molecule-sec
      Half-Life =     7.798 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    93.575 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.09E-007 (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    :  291.4  L/kg (Kow method)
      Log Koc:  2.464       (Kow method)
       Experimental Log Koc:  2.15  (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 = 1.541 (BCF = 34.74 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2740 days (HL = 0.532 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.398 (BCF = 25)
   Log BAF Arnot-Gobas method (upper trophic) = 1.398 (BAF = 25)
       log Kow used: 2.84 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.00311 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.282  hours
    Half-Life from Model Lake :      102.9  hours   (4.29 days)
 
 Removal In Wastewater Treatment:
    Total removal:              56.63  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     3.00  percent
    Total to Air:               53.57  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       25.4            333          1000       
   Water     28.1            360          1000       
   Soil      46.1            720          1000       
   Sediment  0.302           3.24e+003    0          
     Persistence Time: 230 hr