Methyl 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) =  0.79
    Log Kow (Exper. database match) =  0.60
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  34.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -98.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  381  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  43.25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.876e+004
       log Kow used: 0.60 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12174 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.38E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.232E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.60  (exp database)
  Log Kaw used:  -1.249  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.849
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3403
   Biowin2 (Non-Linear Model)     :   0.4014
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5434  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6176  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7275
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9284
 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):  5.05E+004 Pa (379 mm Hg)
  Log Koa (Koawin est  ): 1.849
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.94E-011 
       Octanol/air (Koa) model:  1.73E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.14E-009 
       Mackay model           :  4.75E-009 
       Octanol/air (Koa) model:  1.39E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0490 E-12 cm3/molecule-sec
      Half-Life =   218.464 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.45E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  14.65
      Log Koc:  1.166 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.064E+004  L/mol-sec
  Kb Half-Life at pH 8:       1.086  minutes
  Kb Half-Life at pH 7:      10.855  minutes

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 0.60 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00138 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.635  hours
    Half-Life from Model Lake :      112.7  hours   (4.697 days)

 Removal In Wastewater Treatment:
    Total removal:              37.24  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.22  percent
    Total to Air:               35.95  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       42.7            4.94e+003    1000       
   Water     47.2            900          1000       
   Soil      10.1            1.8e+003     1000       
   Sediment  0.0941          8.1e+003     0          
     Persistence Time: 192 hr