CAS Num: 000598-98-1
SMILES : O=C(C(C)(C)C)OC
CHEM   : Propanoic acid, 2,2-dimethyl-, methyl ester
MOL FOR: C6 H12 O2 
MOL WT : 116.16
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.74
    Log Kow (Exper. database match) =  1.83
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    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):  35.7  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.76E+003  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  101.1 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2835
       log Kow used: 1.83 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10656 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.10E-004  atm-m3/mole  (4.16E+001 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 4.25E-04  atm-m3/mole  (4.31E+001 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.925E-003 atm-m3/mole  (1.950E+002 Pa-m3/mole)
      VP:   35.7 mm Hg (source: MPBPVP)
      WS:   2.84E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.83  (exp database)
  Log Kaw used:  -1.760  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.590
      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):  4.52E+003 Pa (33.9 mm Hg)
  Log Koa (Koawin est  ): 3.590
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.64E-010 
       Octanol/air (Koa) model:  9.55E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.4E-008 
       Mackay model           :  5.31E-008 
       Octanol/air (Koa) model:  7.64E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.7194 E-12 cm3/molecule-sec
      Half-Life =    14.867 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.85E-008 (Junge-Pankow, Mackay avg)
      7.64E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  13.11  L/kg (MCI method)
      Log Koc:  1.118       (MCI method)
      Koc    :  74.43  L/kg (Kow method)
      Log Koc:  1.872       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.186E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.551  years  
  Kb Half-Life at pH 7:      35.505  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.874 (BCF = 7.489 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3510 days (HL = 0.04456 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.665 (BCF = 4.62)
   Log BAF Arnot-Gobas method (upper trophic) = 0.665 (BAF = 4.62)
       log Kow used: 1.83 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000425 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      2.585  hours
    Half-Life from Model Lake :      118.6  hours   (4.94 days)

 Removal In Wastewater Treatment:
    Total removal:              17.80  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:               15.95  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       26              357          1000       
   Water     38              360          1000       
   Soil      35.9            720          1000       
   Sediment  0.0905          3.24e+003    0          
     Persistence Time: 219 hr