CAS Num: 090397-38-9
SMILES : CCCC(C(=O)OCC(CCC)C)C
CHEM   : Pentanoic acid, 2-methyl-, 2-methylpentyl ester
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) =  4.65

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  225.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -8.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.097  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  12.9  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.696
       log Kow used: 4.65 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12.574 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:   4.66E-003  atm-m3/mole  (4.72E+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:  5.444E-003 atm-m3/mole  (5.517E+002 Pa-m3/mole)
      VP:   0.097 mm Hg (source: MPBPVP)
      WS:   4.7 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.65  (KowWin est)
  Log Kaw used:  -1.036  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.686
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8264
   Biowin2 (Non-Linear Model)     :   0.9858
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8967  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7877  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6073
   Biowin6 (MITI Non-Linear Model):   0.7711
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4879
 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):  12.1 Pa (0.091 mm Hg)
  Log Koa (Koawin est  ): 5.686
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.47E-007 
       Octanol/air (Koa) model:  1.19E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.93E-006 
       Mackay model           :  1.98E-005 
       Octanol/air (Koa) model:  9.53E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.3057 E-12 cm3/molecule-sec
      Half-Life =     0.946 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.353 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.44E-005 (Junge-Pankow, Mackay avg)
      9.53E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  562.3  L/kg (MCI method)
      Log Koc:  2.750       (MCI method)
      Koc    :  2701  L/kg (Kow method)
      Log Koc:  3.432       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  7.591E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.893  years  
  Kb Half-Life at pH 7:      28.933  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.732 (BCF = 540 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6645 days (HL = 0.2165 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.957 (BCF = 90.49)
   Log BAF Arnot-Gobas method (upper trophic) = 1.957 (BAF = 90.5)
       log Kow used: 4.65 (estimated)

 Volatilization from Water:
    Henry LC:  0.00466 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.622  hours
    Half-Life from Model Lake :      136.4  hours   (5.682 days)

 Removal In Wastewater Treatment:
    Total removal:              81.21  percent
    Total biodegradation:        0.36  percent
    Total sludge adsorption:    51.01  percent
    Total to Air:               29.85  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.5             22.7         1000       
   Water     28.5            360          1000       
   Soil      63.4            720          1000       
   Sediment  0.615           3.24e+003    0          
     Persistence Time: 223 hr