CAS Num: 059219-71-5
SMILES : O=C(OCCC(CC(C)(C)C)C)CC(CC(C)(C)C)C
CHEM   : Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester
MOL FOR: C18 H36 O2 
MOL WT : 284.49
------------------------------ 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) =  7.37

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  293.44  (Adapted Stein & Brown method)
    Melting Pt (deg C):  47.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00173  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.231  (Modified Grain method)
    Subcooled liquid VP: 0.00276 mm Hg (25 deg C, Mod-Grain method)
                       : 0.368 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.007668
       log Kow used: 7.37 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.064866 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.23E-002  atm-m3/mole  (1.25E+003 Pa-m3/mole)
   Group Method:   4.15E-002  atm-m3/mole  (4.21E+003 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:  8.445E-002 atm-m3/mole  (8.557E+003 Pa-m3/mole)
      VP:   0.00173 mm Hg (source: MPBPVP)
      WS:   0.00767 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.37  (KowWin est)
  Log Kaw used:  -0.299  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.669
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4184
   Biowin2 (Non-Linear Model)     :   0.4018
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2865  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3594  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4938
   Biowin6 (MITI Non-Linear Model):   0.4159
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4989
 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):  0.368 Pa (0.00276 mm Hg)
  Log Koa (Koawin est  ): 7.669
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.15E-006 
       Octanol/air (Koa) model:  1.15E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000294 
       Mackay model           :  0.000652 
       Octanol/air (Koa) model:  0.000916 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.6417 E-12 cm3/molecule-sec
      Half-Life =     0.784 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.409 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000473 (Junge-Pankow, Mackay avg)
      0.000916 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8640  L/kg (MCI method)
      Log Koc:  3.936       (MCI method)
      Koc    :  8.631E+004  L/kg (Kow method)
      Log Koc:  4.936       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.430E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.536  years  
  Kb Half-Life at pH 7:      15.360  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.943 (BCF = 8760 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3406 days (HL = 2.191 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.184 (BCF = 152.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.847 (BAF = 703.9)
       log Kow used: 7.37 (estimated)

 Volatilization from Water:
    Henry LC:  0.0415 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.745  hours
    Half-Life from Model Lake :      160.5  hours   (6.686 days)

 Removal In Wastewater Treatment:
    Total removal:              94.15  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    92.11  percent
    Total to Air:                1.27  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.4             18.8         1000       
   Water     26.3            900          1000       
   Soil      64.2            1.8e+003     1000       
   Sediment  6.11            8.1e+003     0          
     Persistence Time: 433 hr