HEXACHLOROBUTADIENE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.72
    Log Kow (Exper. database match) =  4.78
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  215.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -6.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.252  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -21 deg C
    BP  (exp database):  215 deg C
    VP  (exp database):  2.20E-01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.705
       log Kow used: 4.78 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3.2 mg/L (25 deg C)
        Exper. Ref:  BANERJEE,S ET AL. (1980)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.8628 mg/L
    Wat Sol (Exper. database match) =  3.20
       Exper. Ref:  BANERJEE,S ET AL. (1980)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Halides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.08E-002  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 1.03E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.071E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.78  (exp database)
  Log Kaw used:  -0.376  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.156
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0449
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.5838  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.8679  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0571
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7481
 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):  29.3 Pa (0.22 mm Hg)
  Log Koa (Koawin est  ): 5.156
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.02E-007 
       Octanol/air (Koa) model:  3.52E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.69E-006 
       Mackay model           :  8.18E-006 
       Octanol/air (Koa) model:  2.81E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0300 E-12 cm3/molecule-sec
      Half-Life =   356.317 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.000007 E-17 cm3/molecule-sec
      Half-Life =165456.078 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 5.94E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  993.5
      Log Koc:  2.997 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.981 (BCF = 956.3)
       log Kow used: 4.78 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0103 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1.74  hours
    Half-Life from Model Lake :      154.4  hours   (6.432 days)

 Removal In Wastewater Treatment:
    Total removal:              88.93  percent
    Total biodegradation:        0.31  percent
    Total sludge adsorption:    51.88  percent
    Total to Air:               36.74  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.65            8.53e+003    1000       
   Water     3.5             4.32e+003    1000       
   Soil      83.5            8.64e+003    1000       
   Sediment  10.3            3.89e+004    0          
     Persistence Time: 2.64e+003 hr