2-Bromoheptane

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) =  4.05

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  156.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -40.91  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.44  (Modified Grain method)
    MP  (exp database):  47 deg C
    BP  (exp database):  166 deg C
    VP  (exp database):  2.28E+00 mm Hg at 25 deg C
    Subcooled liquid VP: 3.76 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):  19.38
       log Kow used: 4.05 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  41.148 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.65E-002  atm-m3/mole
   Group Method:   4.45E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.751E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.05  (KowWin est)
  Log Kaw used:  0.279  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.771
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7245
   Biowin2 (Non-Linear Model)     :   0.1058
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1307  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8938  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4239
   Biowin6 (MITI Non-Linear Model):   0.1760
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6564
 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):  501 Pa (3.76 mm Hg)
  Log Koa (Koawin est  ): 3.771
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.98E-009 
       Octanol/air (Koa) model:  1.45E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.16E-007 
       Mackay model           :  4.79E-007 
       Octanol/air (Koa) model:  1.16E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.4014 E-12 cm3/molecule-sec
      Half-Life =     1.980 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    23.763 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.47E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  424.8
      Log Koc:  2.628 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.418E-007  L/mol-sec
  Kb Half-Life at pH 8: 1.549E+005  years  
  Kb Half-Life at pH 7: 1.549E+006  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.418 (BCF = 261.7)
       log Kow used: 4.05 (estimated)

 Volatilization from Water:
    Henry LC:  0.0445 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.383  hours
    Half-Life from Model Lake :      127.3  hours   (5.304 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.36  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:    19.49  percent
    Total to Air:               75.79  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       12.4            47.5         1000       
   Water     27.1            360          1000       
   Soil      56.6            720          1000       
   Sediment  3.85            3.24e+003    0          
     Persistence Time: 227 hr