CAS Num: 060763-42-0
SMILES : O=C(OC(CCC(CC)C)(CC)C)C
CHEM   : 3-Octanol, 3,6-dimethyl-, acetate
MOL FOR: C12 H24 O2 
MOL WT : 200.32
------------------------------ 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) =  4.61

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  218.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -2.29  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.143  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  19  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.056
       log Kow used: 4.61 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18.467 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.25E-003  atm-m3/mole  (2.28E+002 Pa-m3/mole)
   Group Method:   3.22E-003  atm-m3/mole  (3.27E+002 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:  7.455E-003 atm-m3/mole  (7.554E+002 Pa-m3/mole)
      VP:   0.143 mm Hg (source: MPBPVP)
      WS:   5.06 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.61  (KowWin est)
  Log Kaw used:  -1.036  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.646
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6424
   Biowin2 (Non-Linear Model)     :   0.9256
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6846  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6342  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6766
   Biowin6 (MITI Non-Linear Model):   0.7863
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2140
 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):  17.6 Pa (0.132 mm Hg)
  Log Koa (Koawin est  ): 5.646
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.7E-007 
       Octanol/air (Koa) model:  1.09E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.16E-006 
       Mackay model           :  1.36E-005 
       Octanol/air (Koa) model:  8.69E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.7700 E-12 cm3/molecule-sec
      Half-Life =     1.220 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.635 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.9E-006 (Junge-Pankow, Mackay avg)
      8.69E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  452.6  L/kg (MCI method)
      Log Koc:  2.656       (MCI method)
      Koc    :  2567  L/kg (Kow method)
      Log Koc:  3.409       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  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  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.708 (BCF = 510.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5623 days (HL = 0.274 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.055 (BCF = 113.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.055 (BAF = 113.4)
       log Kow used: 4.61 (estimated)

 Volatilization from Water:
    Henry LC:  0.00322 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.702  hours
    Half-Life from Model Lake :      137.2  hours   (5.718 days)

 Removal In Wastewater Treatment:
    Total removal:              77.21  percent
    Total biodegradation:        0.38  percent
    Total sludge adsorption:    51.25  percent
    Total to Air:               25.58  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.2             29.3         1000       
   Water     26              900          1000       
   Soil      66.1            1.8e+003     1000       
   Sediment  0.651           8.1e+003     0          
     Persistence Time: 318 hr