3-Methylbutyl trifluoroacetate

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) =  2.68

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  118.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -58.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  16.6  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  270.4
       log Kow used: 2.68 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  208.65 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.29E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.488E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.68  (KowWin est)
  Log Kaw used:  -0.756  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.436
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3136
   Biowin2 (Non-Linear Model)     :   0.2321
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4195  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5366  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6091
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7349
 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):  2.07E+003 Pa (15.5 mm Hg)
  Log Koa (Koawin est  ): 3.436
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.45E-009 
       Octanol/air (Koa) model:  6.7E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.24E-008 
       Mackay model           :  1.16E-007 
       Octanol/air (Koa) model:  5.36E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.5474 E-12 cm3/molecule-sec
      Half-Life =     2.352 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    28.225 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.43E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  142.1
      Log Koc:  2.153 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  8.529E+003  L/mol-sec
  Kb Half-Life at pH 8:       1.354  minutes
  Kb Half-Life at pH 7:      13.544  minutes

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.363 (BCF = 23.09)
       log Kow used: 2.68 (estimated)

 Volatilization from Water:
    Henry LC:  0.00429 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.57  hours
    Half-Life from Model Lake :      130.9  hours   (5.455 days)

 Removal In Wastewater Treatment:
    Total removal:              63.68  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     2.20  percent
    Total to Air:               61.42  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       18              56.4         1000       
   Water     39.9            900          1000       
   Soil      41.6            1.8e+003     1000       
   Sediment  0.461           8.1e+003     0          
     Persistence Time: 205 hr