CAS Number: 96-18-4
SMILES : CLCC(CL)CCL
CHEM   : Propane, 1,2,3-trichloro-
MOL FOR: C3 H5 CL3 
MOL WT : 147.43
------------------------------ 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) =  2.50
    Log Kow (Exper. database match) =  2.27
       Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  162.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -46.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.89  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  386  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -14.7 deg C
    BP  (exp database):  157 deg C
    VP  (exp database):  3.69E+00 mm Hg (4.92E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  896.8
       log Kow used: 2.27 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1750 mg/L (25 deg C)
        Exper. Ref:  ALBANESE,V ET AL. (1987)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  898.77 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.67E-003  atm-m3/mole  (5.75E+002 Pa-m3/mole)
   Group Method:   6.74E-006  atm-m3/mole  (6.83E-001 Pa-m3/mole)
   Exper Database: 3.43E-04  atm-m3/mole  (3.48E+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:  6.251E-004 atm-m3/mole  (6.334E+001 Pa-m3/mole)
      VP:   2.89 mm Hg (source: MPBPVP)
      WS:   897 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.27  (exp database)
  Log Kaw used:  -1.853  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.123
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3432
   Biowin2 (Non-Linear Model)     :   0.0095
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3538  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3332  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3250
   Biowin6 (MITI Non-Linear Model):   0.0527
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6782
 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):  492 Pa (3.69 mm Hg)
  Log Koa (Koawin est  ): 4.123
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.1E-009 
       Octanol/air (Koa) model:  3.26E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.2E-007 
       Mackay model           :  4.88E-007 
       Octanol/air (Koa) model:  2.61E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.3511 E-12 cm3/molecule-sec
      Half-Life =    30.466 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.54E-007 (Junge-Pankow, Mackay avg)
      2.61E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  115.8  L/kg (MCI method)
      Log Koc:  2.064       (MCI method)
      Koc    :  93.27  L/kg (Kow method)
      Log Koc:  1.970       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.396E-007  L/mol-sec
  Kb Half-Life at pH 8: 2.337E+004  years  
  Kb Half-Life at pH 7: 2.337E+005  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.165 (BCF = 14.61 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2780 days (HL = 0.5272 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.229 (BCF = 16.92)
   Log BAF Arnot-Gobas method (upper trophic) = 1.229 (BAF = 16.92)
       log Kow used: 2.27 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.000343 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      3.312  hours
    Half-Life from Model Lake :      137.9  hours   (5.747 days)
 
 Removal In Wastewater Treatment:
    Total removal:              15.79  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.24  percent
    Total to Air:               13.47  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       11.2            731          1000       
   Water     21.7            900          1000       
   Soil      66.9            1.8e+003     1000       
   Sediment  0.163           8.1e+003     0          
     Persistence Time: 535 hr