Hexachlorocyclopentadiene

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) =  4.63
    Log Kow (Exper. database match) =  5.04
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  241.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  55.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0488  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -9 deg C
    BP  (exp database):  239 deg C
    VP  (exp database):  6.00E-02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.8747
       log Kow used: 5.04 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.8 mg/L (25 deg C)
        Exper. Ref:  CALLAHAN,MA ET AL. (1979)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.7939 mg/L
    Wat Sol (Exper. database match) =  1.80
       Exper. Ref:  CALLAHAN,MA ET AL. (1979)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.11E-003  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 2.70E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.002E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.04  (exp database)
  Log Kaw used:  0.043  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.997
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2346
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.3452  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.6971  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0252
   Biowin6 (MITI Non-Linear Model):   0.0002
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4139
 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):  8 Pa (0.06 mm Hg)
  Log Koa (Koawin est  ): 4.997
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.75E-007 
       Octanol/air (Koa) model:  2.44E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.35E-005 
       Mackay model           :  3E-005 
       Octanol/air (Koa) model:  1.95E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.3932 E-12 cm3/molecule-sec
      Half-Life =    27.205 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.000339 E-17 cm3/molecule-sec
      Half-Life =  3383.412 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 2.18E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1667
      Log Koc:  3.222 

 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 = 3.181 (BCF = 1516)
       log Kow used: 5.04 (expkow database)

 Volatilization from Water:
    Henry LC:  0.027 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.721  hours
    Half-Life from Model Lake :      157.3  hours   (6.553 days)

 Removal In Wastewater Treatment:
    Total removal:              94.92  percent
    Total biodegradation:        0.28  percent
    Total sludge adsorption:    55.80  percent
    Total to Air:               38.85  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.66            648          1000       
   Water     3.68            4.32e+003    1000       
   Soil      74.1            8.64e+003    1000       
   Sediment  19.5            3.89e+004    0          
     Persistence Time: 2.47e+003 hr