1,1,3,3-Tetramethylcyclopentane

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) =  4.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  120.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -35.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  20.4  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -88.4 deg C
    BP  (exp database):  118 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.579
       log Kow used: 4.43 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.6112 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.97E-001  atm-m3/mole
   Group Method:   7.92E-001  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.400E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.43  (KowWin est)
  Log Kaw used:  1.388  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.042
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3196
   Biowin2 (Non-Linear Model)     :   0.0971
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4959  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3587  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5326
   Biowin6 (MITI Non-Linear Model):   0.6145
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5107
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.7176
     BioHC Half-Life (days)     :  52.1883

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.56E+003 Pa (19.2 mm Hg)
  Log Koa (Koawin est  ): 3.042
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.17E-009 
       Octanol/air (Koa) model:  2.7E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.23E-008 
       Mackay model           :  9.37E-008 
       Octanol/air (Koa) model:  2.16E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.3822 E-12 cm3/molecule-sec
      Half-Life =     3.162 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    37.950 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.8E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  506.7
      Log Koc:  2.705 

 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 = 2.709 (BCF = 511.2)
       log Kow used: 4.43 (estimated)

 Volatilization from Water:
    Henry LC:  0.597 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.148  hours
    Half-Life from Model Lake :      106.7  hours   (4.447 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.67  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:    31.14  percent
    Total to Air:               68.43  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       21.3            75.9         1000       
   Water     37.5            900          1000       
   Soil      17.2            1.8e+003     1000       
   Sediment  24              8.1e+003     0          
     Persistence Time: 207 hr