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CAS Number: 2874-76-2
SMILES : O=C(O)C(CCCCCCCC)CC
CHEM   : Decanoic acid, 2-ethyl-
MOL FOR: C12 H24 O2 
MOL WT : 200.32
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  4.92
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  300.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  79.51  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000586  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0782  (Modified Grain method)
    Subcooled liquid VP: 0.00194 mm Hg (25 deg C, Mod-Grain method)
                       : 0.258 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  6.746
       log Kow used: 4.92 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18.387 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:   1.44E-005  atm-m3/mole  (1.46E+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:  2.290E-005 atm-m3/mole  (2.320E+000 Pa-m3/mole)
      VP:   0.000586 mm Hg (source: MPBPVP)
      WS:   6.75 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.92  (KowWin est)
  Log Kaw used:  -3.420  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.340
      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)    :   0.6428
   Biowin6 (MITI Non-Linear Model):   0.7777
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5881
 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):  0.259 Pa (0.00194 mm Hg)
  Log Koa (Koawin est  ): 8.340
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.16E-005 
       Octanol/air (Koa) model:  5.37E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000419 
       Mackay model           :  0.000927 
       Octanol/air (Koa) model:  0.00428 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.8318 E-12 cm3/molecule-sec
      Half-Life =     0.773 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.280 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000673 (Junge-Pankow, Mackay avg)
      0.00428 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  300.2  L/kg (MCI method)
      Log Koc:  2.477       (MCI method)
      Koc    :  753.6  L/kg (Kow method)
      Log Koc:  2.877       (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 v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3696 days (HL = 2.342 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.935 (BCF = 861.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.945 (BAF = 882)
       log Kow used: 4.92 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.44E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      58.99  hours   (2.458 days)
    Half-Life from Model Lake :      762.2  hours   (31.76 days)
 
 Removal In Wastewater Treatment:
    Total removal:              75.08  percent
    Total biodegradation:        0.66  percent
    Total sludge adsorption:    74.26  percent
    Total to Air:                0.17  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.58            18.6         1000       
   Water     27.4            208          1000       
   Soil      69.7            416          1000       
   Sediment  0.278           1.87e+003    0          
     Persistence Time: 280 hr