1-Bromocyclohexane

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) =  3.45
    Log Kow (Exper. database match) =  3.20
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  157.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -35.05  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.49  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -56.5 deg C
    BP  (exp database):  166.2 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  122.6
       log Kow used: 3.20 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  828 mg/L (25 deg C)
        Exper. Ref:  MUELLER,M & KLEIN,W (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  512.9 mg/L
    Wat Sol (Exper. database match) =  828.00
       Exper. Ref:  MUELLER,M & KLEIN,W (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.54E-002  atm-m3/mole
   Group Method:   3.62E-003  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.358E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.20  (exp database)
  Log Kaw used:  -0.201  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.401
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6237
   Biowin2 (Non-Linear Model)     :   0.0230
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8678  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6479  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4349
   Biowin6 (MITI Non-Linear Model):   0.1565
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6345
 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):  303 Pa (2.27 mm Hg)
  Log Koa (Koawin est  ): 3.401
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.91E-009 
       Octanol/air (Koa) model:  6.18E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.58E-007 
       Mackay model           :  7.93E-007 
       Octanol/air (Koa) model:  4.94E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.1179 E-12 cm3/molecule-sec
      Half-Life =     1.748 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    20.980 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.75E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  268
      Log Koc:  2.428 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  6.528E-012  L/mol-sec
  Kb Half-Life at pH 8: 3.365E+009  years  
  Kb Half-Life at pH 7: 3.365E+010  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.764 (BCF = 58.08)
       log Kow used: 3.20 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00362 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1.51  hours
    Half-Life from Model Lake :      123.5  hours   (5.148 days)

 Removal In Wastewater Treatment:
    Total removal:              60.97  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     5.39  percent
    Total to Air:               55.50  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.18            42           1000       
   Water     24.1            360          1000       
   Soil      66.1            720          1000       
   Sediment  0.591           3.24e+003    0          
     Persistence Time: 265 hr