4-Bromobutyl Acetate

Data supplied by datasources and users.

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.

                    
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.19

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  195.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -6.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.446  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  625.1
       log Kow used: 2.19 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1193.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.73E-005  atm-m3/mole
   Group Method:   6.00E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.831E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.19  (KowWin est)
  Log Kaw used:  -2.714  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.904
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7827
   Biowin2 (Non-Linear Model)     :   0.4688
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9373  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8307  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7704
   Biowin6 (MITI Non-Linear Model):   0.6276
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.3914
 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):  54.4 Pa (0.408 mm Hg)
  Log Koa (Koawin est  ): 4.904
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.51E-008 
       Octanol/air (Koa) model:  1.97E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.99E-006 
       Mackay model           :  4.41E-006 
       Octanol/air (Koa) model:  1.57E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.1434 E-12 cm3/molecule-sec
      Half-Life =     2.581 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    30.977 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.2E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  38.47
      Log Koc:  1.585 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.025E-001  L/mol-sec
  Kb Half-Life at pH 8:      78.232  days   
  Kb Half-Life at pH 7:       2.142  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.986 (BCF = 9.688)
       log Kow used: 2.19 (estimated)

 Volatilization from Water:
    Henry LC:  6E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      137.7  hours   (5.738 days)
    Half-Life from Model Lake :       1619  hours   (67.47 days)

 Removal In Wastewater Treatment:
    Total removal:               2.79  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.36  percent
    Total to Air:                0.34  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.6             61.9         1000       
   Water     28.9            360          1000       
   Soil      67.3            720          1000       
   Sediment  0.128           3.24e+003    0          
     Persistence Time: 443 hr