tert-Butyl acetate

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) =  1.74
    Log Kow (Exper. database match) =  1.76
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  102.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -62.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  42.6  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  97 deg C
    VP  (exp database):  4.70E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3254
       log Kow used: 1.76 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  8330 mg/L (25 deg C)
        Exper. Ref:  MERCK INDEX (1996)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10656 mg/L
    Wat Sol (Exper. database match) =  8330.00
       Exper. Ref:  MERCK INDEX (1996)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.10E-004  atm-m3/mole
   Group Method:   3.38E-004  atm-m3/mole
   Exper Database: 8.62E-04  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.001E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.76  (exp database)
  Log Kaw used:  -1.453  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.213
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6825
   Biowin2 (Non-Linear Model)     :   0.9762
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8706  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7557  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7796
   Biowin6 (MITI Non-Linear Model):   0.8904
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3554
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.27E+003 Pa (47 mm Hg)
  Log Koa (Koawin est  ): 3.213
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.79E-010 
       Octanol/air (Koa) model:  4.01E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.73E-008 
       Mackay model           :  3.83E-008 
       Octanol/air (Koa) model:  3.21E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.5440 E-12 cm3/molecule-sec
      Half-Life =    19.662 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.78E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  13.53
      Log Koc:  1.131 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  4.610E-002  L/mol-sec
  Kb Half-Life at pH 8:     174.013  days   
  Kb Half-Life at pH 7:       4.764  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.655 (BCF = 4.521)
       log Kow used: 1.76 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000862 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.832  hours
    Half-Life from Model Lake :      110.4  hours   (4.598 days)

 Removal In Wastewater Treatment:
    Total removal:              28.17  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.55  percent
    Total to Air:               26.54  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       32.1            570          1000       
   Water     36.6            360          1000       
   Soil      31.2            720          1000       
   Sediment  0.103           3.24e+003    0          
     Persistence Time: 201 hr