CAS Number: 79-00-5
SMILES : CLCC(CL)CL
CHEM   : Ethane, 1,1,2-trichloro-
MOL FOR: C2 H3 CL3 
MOL WT : 133.41
------------------------------ 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) =  2.01
    Log Kow (Exper. database match) =  1.89
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  127.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -62.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  20.6  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.74E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -36.6 deg C
    BP  (exp database):  113.8 deg C
    VP  (exp database):  2.30E+01 mm Hg (3.07E+003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2167
       log Kow used: 1.89 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4590 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL ET AL. (1999)
     Water Sol (Exper. database match) =  1100 mg/L (25 deg C)
        Exper. Ref:  TALIAN,SF ET AL. (1986)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2800.6 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.27E-003  atm-m3/mole  (4.33E+002 Pa-m3/mole)
   Group Method:   1.02E-004  atm-m3/mole  (1.03E+001 Pa-m3/mole)
   Exper Database: 8.24E-04  atm-m3/mole  (8.35E+001 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:  1.669E-003 atm-m3/mole  (1.691E+002 Pa-m3/mole)
      VP:   20.6 mm Hg (source: MPBPVP)
      WS:   2.17E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.89  (exp database)
  Log Kaw used:  -1.473  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.363
      Log Koa (experimental database):  3.400
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3499
   Biowin2 (Non-Linear Model)     :   0.0116
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3848  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3534  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3173
   Biowin6 (MITI Non-Linear Model):   0.0515
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6522
 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):  3.07E+003 Pa (23 mm Hg)
  Log Koa (Exp database): 3.400
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.78E-010 
       Octanol/air (Koa) model:  6.17E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.53E-008 
       Mackay model           :  7.83E-008 
       Octanol/air (Koa) model:  4.93E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2286 E-12 cm3/molecule-sec
      Half-Life =    46.785 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.68E-008 (Junge-Pankow, Mackay avg)
      4.93E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  60.7  L/kg (MCI method)
      Log Koc:  1.783       (MCI method)
      Koc    :  43.64  L/kg (Kow method)
      Log Koc:  1.640       (Kow method)
       Experimental Log Koc:  1.89  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.876E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.171  years  
  Kb Half-Life at pH 7:      11.705  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.914 (BCF = 8.204 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3830 days (HL = 0.414 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.819 (BCF = 6.585)
   Log BAF Arnot-Gobas method (upper trophic) = 0.819 (BAF = 6.585)
       log Kow used: 1.89 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.000824 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.999  hours
    Half-Life from Model Lake :      118.7  hours   (4.944 days)
 
 Removal In Wastewater Treatment:
    Total removal:              27.43  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.64  percent
    Total to Air:               25.72  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       23.9            1.31e+003    1000       
   Water     31.7            900          1000       
   Soil      44.2            1.8e+003     1000       
   Sediment  0.152           8.1e+003     0          
     Persistence Time: 308 hr