bromopropylate

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) =  4.90
    Log Kow (Exper. database match) =  5.40
       Exper. Ref:  Tomlin,C (1997)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  431.94  (Adapted Stein & Brown method)
    Melting Pt (deg C):  170.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.76E-009  (Modified Grain method)
    MP  (exp database):  77 deg C
    VP  (exp database):  8.20E-08 mm Hg at 20 deg C
    Subcooled liquid VP: 2.68E-007 mm Hg (20 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.1619
       log Kow used: 5.40 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.1 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.1487 mg/L
    Wat Sol (Exper. database match) =  0.10
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Esters
       Benzyl Alcohols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.99E-008  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 4.62E-07  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.352E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.40  (exp database)
  Log Kaw used:  -4.724  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  10.124
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3133
   Biowin2 (Non-Linear Model)     :   0.0168
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9092  (months      )
   Biowin4 (Primary Survey Model) :   2.9986  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1993
   Biowin6 (MITI Non-Linear Model):   0.0438
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4147
 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):  3.57E-005 Pa (2.68E-007 mm Hg)
  Log Koa (Koawin est  ): 10.124
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.084 
       Octanol/air (Koa) model:  0.00327 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.752 
       Mackay model           :  0.87 
       Octanol/air (Koa) model:  0.207 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.5236 E-12 cm3/molecule-sec
      Half-Life =     1.640 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.675 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.811 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1953
      Log Koc:  3.291 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.015E-004  L/mol-sec
  Kb Half-Life at pH 8:     109.016  years  
  Kb Half-Life at pH 7:    1090.164  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.458 (BCF = 2871)
       log Kow used: 5.40 (expkow database)

 Volatilization from Water:
    Henry LC:  4.62E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       2624  hours   (109.3 days)
    Half-Life from Model Lake :  2.88E+004  hours   (1200 days)

 Removal In Wastewater Treatment:
    Total removal:              86.88  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    86.14  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.183           39.4         1000       
   Water     5.14            1.44e+003    1000       
   Soil      58.4            2.88e+003    1000       
   Sediment  36.3            1.3e+004     0          
     Persistence Time: 3.4e+003 hr