1-Bromundecan

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) =  6.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  247.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  15.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0501  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -9 deg C
    BP  (exp database):  137-138 @ 18 mm Hg deg C
    VP  (exp database):  1.21E-02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.1806
       log Kow used: 6.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.22929 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.44E-001  atm-m3/mole
   Group Method:   1.81E-001  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  8.585E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.09  (KowWin est)
  Log Kaw used:  0.770  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.320
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6978
   Biowin2 (Non-Linear Model)     :   0.0507
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0067  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8128  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6037
   Biowin6 (MITI Non-Linear Model):   0.3761
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0578
 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):  1.61 Pa (0.0121 mm Hg)
  Log Koa (Koawin est  ): 5.320
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.86E-006 
       Octanol/air (Koa) model:  5.13E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.72E-005 
       Mackay model           :  0.000149 
       Octanol/air (Koa) model:  4.1E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.0576 E-12 cm3/molecule-sec
      Half-Life =     0.887 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.645 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000108 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5864
      Log Koc:  3.768 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.509E-009  L/mol-sec
  Kb Half-Life at pH 8: 1.456E+007  years  
  Kb Half-Life at pH 7: 1.456E+008  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.487 (BCF = 306.9)
       log Kow used: 6.09 (estimated)

 Volatilization from Water:
    Henry LC:  0.181 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1.57  hours
    Half-Life from Model Lake :      145.7  hours   (6.072 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.93  percent
    Total biodegradation:        0.34  percent
    Total sludge adsorption:    67.80  percent
    Total to Air:               29.80  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.21            21.3         1000       
   Water     6.47            360          1000       
   Soil      39.3            720          1000       
   Sediment  53              3.24e+003    0          
     Persistence Time: 829 hr