CAS Num: 002445-77-4
SMILES : O=C(OCC(CC)C)CC(C)C
CHEM   : Butanoic acid, 3-methyl-, 2-methylbutyl ester
MOL FOR: C10 H20 O2 
MOL WT : 172.27
------------------------------ 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) =  3.66

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  186.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -31.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.699  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  93.2  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  44.59
       log Kow used: 3.66 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  128.23 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.27E-003  atm-m3/mole  (1.29E+002 Pa-m3/mole)
   Group Method:   1.81E-003  atm-m3/mole  (1.84E+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:  3.553E-003 atm-m3/mole  (3.600E+002 Pa-m3/mole)
      VP:   0.699 mm Hg (source: MPBPVP)
      WS:   44.6 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.66  (KowWin est)
  Log Kaw used:  -1.285  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.945
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8397
   Biowin2 (Non-Linear Model)     :   0.9905
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9587  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8282  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5919
   Biowin6 (MITI Non-Linear Model):   0.7623
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4359
 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):  84.8 Pa (0.636 mm Hg)
  Log Koa (Koawin est  ): 4.945
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.54E-008 
       Octanol/air (Koa) model:  2.16E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.28E-006 
       Mackay model           :  2.83E-006 
       Octanol/air (Koa) model:  1.73E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.3334 E-12 cm3/molecule-sec
      Half-Life =     1.146 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.752 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.05E-006 (Junge-Pankow, Mackay avg)
      1.73E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  158.5  L/kg (MCI method)
      Log Koc:  2.200       (MCI method)
      Koc    :  765.5  L/kg (Kow method)
      Log Koc:  2.884       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.185E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.391  years  
  Kb Half-Life at pH 7:      23.911  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.084 (BCF = 121.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9428 days (HL = 0.1141 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.647 (BCF = 44.36)
   Log BAF Arnot-Gobas method (upper trophic) = 1.647 (BAF = 44.36)
       log Kow used: 3.66 (estimated)

 Volatilization from Water:
    Henry LC:  0.00181 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.764  hours
    Half-Life from Model Lake :      129.3  hours   (5.387 days)

 Removal In Wastewater Treatment:
    Total removal:              50.08  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:    13.92  percent
    Total to Air:               36.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.59            27.5         1000       
   Water     32.5            360          1000       
   Soil      57.6            720          1000       
   Sediment  0.261           3.24e+003    0          
     Persistence Time: 205 hr