CAS Num: 000143-07-7
SMILES : O=C(O)CCCCCCCCCCC
CHEM   : Dodecanoic acid
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) =  5.00
    Log Kow (Exper. database match) =  4.60
       Exper. Ref:  SANGSTER (1993)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  308.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  81.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00141  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.188  (Modified Grain method)
    MP  (exp database):  43.2 deg C
    BP  (exp database):  298.9 deg C
    VP  (exp database):  1.60E-05 mm Hg (2.13E-003 Pa) at 25 deg C
    Subcooled liquid VP: 2.42E-005 mm Hg (25 deg C, exp database VP )
                       : 0.00323 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  12.76
       log Kow used: 4.60 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4.81 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10.972 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:   9.30E-006  atm-m3/mole  (9.42E-001 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:  2.913E-005 atm-m3/mole  (2.951E+000 Pa-m3/mole)
      VP:   0.00141 mm Hg (source: MPBPVP)
      WS:   12.8 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.60  (exp database)
  Log Kaw used:  -3.420  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.020
      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)    :   0.7919
   Biowin6 (MITI Non-Linear Model):   0.8995
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8855
 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):  0.00323 Pa (2.42E-005 mm Hg)
  Log Koa (Koawin est  ): 8.020
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00093 
       Octanol/air (Koa) model:  2.57E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0325 
       Mackay model           :  0.0692 
       Octanol/air (Koa) model:  0.00205 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.0021 E-12 cm3/molecule-sec
      Half-Life =     0.764 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.167 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0509 (Junge-Pankow, Mackay avg)
      0.00205 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  319.3  L/kg (MCI method)
      Log Koc:  2.504       (MCI method)
      Koc    :  501.3  L/kg (Kow method)
      Log Koc:  2.700       (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) = 0.2644 days (HL = 1.838 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.809 (BCF = 644.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.812 (BAF = 649.3)
       log Kow used: 4.60 (expkow database)

 Volatilization from Water:
    Henry LC:  9.3E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      90.55  hours   (3.773 days)
    Half-Life from Model Lake :       1106  hours   (46.1 days)

 Removal In Wastewater Treatment:
    Total removal:              61.28  percent
    Total biodegradation:        0.56  percent
    Total sludge adsorption:    60.54  percent
    Total to Air:                0.19  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.5             18.3         1000       
   Water     27.5            208          1000       
   Soil      69.7            416          1000       
   Sediment  0.291           1.87e+003    0          
     Persistence Time: 282 hr