1,4-Dimethyladamantane

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) =  4.81

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  195.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  9.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.636  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.487
       log Kow used: 4.81 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.094491 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.71E-001  atm-m3/mole
   Group Method:   5.11E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.246E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.81  (KowWin est)
  Log Kaw used:  1.045  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.765
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4854
   Biowin2 (Non-Linear Model)     :   0.2597
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6240  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4573  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4402
   Biowin6 (MITI Non-Linear Model):   0.2470
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0996
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   2.7901
     BioHC Half-Life (days)     : 616.7932

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  77.7 Pa (0.583 mm Hg)
  Log Koa (Koawin est  ): 3.765
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.86E-008 
       Octanol/air (Koa) model:  1.43E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.39E-006 
       Mackay model           :  3.09E-006 
       Octanol/air (Koa) model:  1.14E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.1651 E-12 cm3/molecule-sec
      Half-Life =     0.505 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.064 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.24E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4308
      Log Koc:  3.634 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.002 (BCF = 1005)
       log Kow used: 4.81 (estimated)

 Volatilization from Water:
    Henry LC:  0.271 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.311  hours
    Half-Life from Model Lake :      121.8  hours   (5.074 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.35  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:    43.70  percent
    Total to Air:               55.51  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.25            12.1         1000       
   Water     21.3            900          1000       
   Soil      43.4            1.8e+003     1000       
   Sediment  32.1            8.1e+003     0          
     Persistence Time: 363 hr