1,4-Dibromobenzene

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) =  3.77
    Log Kow (Exper. database match) =  3.79
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  216.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  27.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0308  (Modified Grain method)
    MP  (exp database):  87.3 deg C
    BP  (exp database):  220 deg C
    VP  (exp database):  5.75E-02 mm Hg at 25 deg C
    Subcooled liquid VP: 0.238 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  16.39
       log Kow used: 3.79 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  20 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
     Water Sol (Exper. database match) =  26.4 mg/L (35 deg C)
        Exper. Ref:  MACKAY,D & SHIU,WY (1981)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  116.5 mg/L
    Wat Sol (Exper. database match) =  20.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
    Wat Sol (Exper. database match) =  26.40
       Exper. Ref:  MACKAY,D & SHIU,WY (1981)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.55E-004  atm-m3/mole
   Group Method:   9.30E-004  atm-m3/mole
   Exper Database: 8.93E-04  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.833E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.79  (exp database)
  Log Kaw used:  -1.438  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.228
      Log Koa (experimental database):  5.210

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4146
   Biowin2 (Non-Linear Model)     :   0.0242
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4058  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2004  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3767
   Biowin6 (MITI Non-Linear Model):   0.3101
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4544
 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):  31.7 Pa (0.238 mm Hg)
  Log Koa (Exp database): 5.210
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.45E-008 
       Octanol/air (Koa) model:  3.98E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.41E-006 
       Mackay model           :  7.56E-006 
       Octanol/air (Koa) model:  3.18E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.3518 E-12 cm3/molecule-sec
      Half-Life =    30.403 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.49E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  434
      Log Koc:  2.638 

 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 = 2.218 (BCF = 165.3)
       log Kow used: 3.79 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000893 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      2.574  hours
    Half-Life from Model Lake :      156.9  hours   (6.536 days)

 Removal In Wastewater Treatment:
    Total removal:              40.95  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    18.85  percent
    Total to Air:               21.90  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.6             730          1000       
   Water     10.2            900          1000       
   Soil      82.8            1.8e+003     1000       
   Sediment  1.46            8.1e+003     0          
     Persistence Time: 898 hr