CAS Num: 000646-13-9
SMILES : O=C(OCC(C)C)CCCCCCCCCCCCCCCCC
CHEM   : Octadecanoic acid, 2-methylpropyl ester
MOL FOR: C22 H44 O2 
MOL WT : 340.60
------------------------------ 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) =  9.63

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  376.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  99.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.79E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00372  (Modified Grain method)
    MP  (exp database):  28.9 deg C
    BP  (exp database):  223 @ 15 mm Hg deg C
    Subcooled liquid VP: 3.02E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00403 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.21e-005
       log Kow used: 9.63 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.4393e-005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.82E-002  atm-m3/mole  (3.87E+003 Pa-m3/mole)
   Group Method:   9.52E-002  atm-m3/mole  (9.64E+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:  2.970E-001 atm-m3/mole  (3.009E+004 Pa-m3/mole)
      VP:   2.79E-005 mm Hg (source: MPBPVP)
      WS:   4.21E-005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.63  (KowWin est)
  Log Kaw used:  0.194  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.436
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8680
   Biowin2 (Non-Linear Model)     :   0.9836
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8851  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8544  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8332
   Biowin6 (MITI Non-Linear Model):   0.9168
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7275
 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):  0.00403 Pa (3.02E-005 mm Hg)
  Log Koa (Koawin est  ): 9.436
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000745 
       Octanol/air (Koa) model:  0.00067 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0262 
       Mackay model           :  0.0563 
       Octanol/air (Koa) model:  0.0509 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.0138 E-12 cm3/molecule-sec
      Half-Life =     0.411 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.934 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0412 (Junge-Pankow, Mackay avg)
      0.0509 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.417E+005  L/kg (MCI method)
      Log Koc:  5.383       (MCI method)
      Koc    :  1.535E+006  L/kg (Kow method)
      Log Koc:  6.186       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.553E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.414  years  
  Kb Half-Life at pH 7:      14.145  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.239 (BCF = 173.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7783 days (HL = 6.001 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.562 (BCF = 3.647)
   Log BAF Arnot-Gobas method (upper trophic) = 2.248 (BAF = 176.9)
       log Kow used: 9.63 (estimated)

 Volatilization from Water:
    Henry LC:  0.0952 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.895  hours
    Half-Life from Model Lake :      175.4  hours   (7.309 days)

 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.24  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.994           9.87         1000       
   Water     25.4            360          1000       
   Soil      72.8            720          1000       
   Sediment  0.846           3.24e+003    0          
     Persistence Time: 446 hr