CAS Num: 006846-50-0
SMILES : O=C(OCC(C)(C)C(OC(=O)C(C)C)C(C)C)C(C)C
CHEM   : Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propane
         diyl ester
MOL FOR: C16 H30 O4 
MOL WT : 286.42
------------------------------ 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) =  4.91

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  271.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -30.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0085  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.13  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.9422
       log Kow used: 4.91 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.457 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.42E-006  atm-m3/mole  (9.55E-001 Pa-m3/mole)
   Group Method:   1.07E-005  atm-m3/mole  (1.08E+000 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:  3.400E-003 atm-m3/mole  (3.445E+002 Pa-m3/mole)
      VP:   0.0085 mm Hg (source: MPBPVP)
      WS:   0.942 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.91  (KowWin est)
  Log Kaw used:  -3.414  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.324
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7756
   Biowin2 (Non-Linear Model)     :   0.9954
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6345  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7390  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4652
   Biowin6 (MITI Non-Linear Model):   0.4340
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4284
 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):  1.17 Pa (0.00874 mm Hg)
  Log Koa (Koawin est  ): 8.324
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.57E-006 
       Octanol/air (Koa) model:  5.18E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.3E-005 
       Mackay model           :  0.000206 
       Octanol/air (Koa) model:  0.00412 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.4614 E-12 cm3/molecule-sec
      Half-Life =     0.933 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.199 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000149 (Junge-Pankow, Mackay avg)
      0.00412 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  490  L/kg (MCI method)
      Log Koc:  2.690       (MCI method)
      Koc    :  3234  L/kg (Kow method)
      Log Koc:  3.510       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.490E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.474  years  
  Kb Half-Life at pH 7:      14.745  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.907 (BCF = 807.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3616 days (HL = 0.04349 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.281 (BCF = 19.11)
   Log BAF Arnot-Gobas method (upper trophic) = 1.281 (BAF = 19.11)
       log Kow used: 4.91 (estimated)

 Volatilization from Water:
    Henry LC:  1.07E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      94.33  hours   (3.93 days)
    Half-Life from Model Lake :       1171  hours   (48.79 days)

 Removal In Wastewater Treatment:
    Total removal:              74.70  percent
    Total biodegradation:        0.66  percent
    Total sludge adsorption:    73.92  percent
    Total to Air:                0.13  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.85            22.4         1000       
   Water     18.6            900          1000       
   Soil      80              1.8e+003     1000       
   Sediment  0.503           8.1e+003     0          
     Persistence Time: 1.01e+003 hr