CAS Number: 238757-71-6
SMILES : O=C(O)C(C(C)CCCCC)C(C)C
CHEM   : 3-methyl-2-propan-2-yloctanoate
MOL FOR: C12 H24 O2 
MOL WT : 200.32
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.78
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  281.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  59.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00246  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.328  (Modified Grain method)
    Subcooled liquid VP: 0.00511 mm Hg (25 deg C, Mod-Grain method)
                       : 0.681 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.007
       log Kow used: 4.78 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  51.642 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.31E-006  atm-m3/mole  (9.44E-001 Pa-m3/mole)
   Group Method:   2.08E-005  atm-m3/mole  (2.11E+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:  7.199E-005 atm-m3/mole  (7.294E+000 Pa-m3/mole)
      VP:   0.00246 mm Hg (source: MPBPVP)
      WS:   9.01 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.78  (KowWin est)
  Log Kaw used:  -3.420  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.200
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8333
   Biowin2 (Non-Linear Model)     :   0.9341
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4194  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2134  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3446
   Biowin6 (MITI Non-Linear Model):   0.3483
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0068
 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):  0.681 Pa (0.00511 mm Hg)
  Log Koa (Koawin est  ): 8.200
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.4E-006 
       Octanol/air (Koa) model:  3.89E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000159 
       Mackay model           :  0.000352 
       Octanol/air (Koa) model:  0.0031 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.0996 E-12 cm3/molecule-sec
      Half-Life =     0.759 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.103 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000256 (Junge-Pankow, Mackay avg)
      0.0031 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  231.5  L/kg (MCI method)
      Log Koc:  2.364       (MCI method)
      Koc    :  630.5  L/kg (Kow method)
      Log Koc:  2.800       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3354 days (HL = 2.165 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.892 (BCF = 779.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.898 (BAF = 790.7)
       log Kow used: 4.78 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.08E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      41.28  hours   (1.72 days)
    Half-Life from Model Lake :        569  hours   (23.71 days)
 
 Removal In Wastewater Treatment:
    Total removal:              69.68  percent
    Total biodegradation:        0.62  percent
    Total sludge adsorption:    68.76  percent
    Total to Air:                0.30  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.61            18.2         1000       
   Water     27.5            208          1000       
   Soil      69.7            416          1000       
   Sediment  0.234           1.87e+003    0          
     Persistence Time: 277 hr