1-Bromobutane

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.65
    Log Kow (Exper. database match) =  2.75
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  101.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -66.32  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  40.4  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -112.4 deg C
    BP  (exp database):  101.6 deg C
    VP  (exp database):  4.20E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  386.2
       log Kow used: 2.75 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  869 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  767.09 mg/L
    Wat Sol (Exper. database match) =  869.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.99E-002  atm-m3/mole
   Group Method:   1.62E-002  atm-m3/mole
   Exper Database: 8.71E-03  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.886E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.75  (exp database)
  Log Kaw used:  -0.448  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.198
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7446
   Biowin2 (Non-Linear Model)     :   0.1770
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2237  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9545  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5499
   Biowin6 (MITI Non-Linear Model):   0.3367
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8758
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.6E+003 Pa (42 mm Hg)
  Log Koa (Koawin est  ): 3.198
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.36E-010 
       Octanol/air (Koa) model:  3.87E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.93E-008 
       Mackay model           :  4.29E-008 
       Octanol/air (Koa) model:  3.1E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.1662 E-12 cm3/molecule-sec
      Half-Life =     4.938 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    59.251 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.11E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  80.77
      Log Koc:  1.907 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  4.119E-009  L/mol-sec
  Kb Half-Life at pH 8: 5.332E+006  years  
  Kb Half-Life at pH 7: 5.332E+007  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.418 (BCF = 26.15)
       log Kow used: 2.75 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00871 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.273  hours
    Half-Life from Model Lake :        112  hours   (4.668 days)

 Removal In Wastewater Treatment:
    Total removal:              77.68  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     2.10  percent
    Total to Air:               75.54  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       29.3            103          1000       
   Water     40              360          1000       
   Soil      30.3            720          1000       
   Sediment  0.424           3.24e+003    0          
     Persistence Time: 157 hr