CAS Num: 000057-10-3
SMILES : O=C(O)CCCCCCCCCCCCCCC
CHEM   : Hexadecanoic acid
MOL FOR: C16 H32 O2 
MOL WT : 256.43
------------------------------ 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) =  6.96
    Log Kow (Exper. database match) =  7.17
       Exper. Ref:  SANGSTER (1993)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  358.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  116.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.52E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00736  (Modified Grain method)
    MP  (exp database):  61.8 deg C
    BP  (exp database):  351.5 deg C
    VP  (exp database):  3.80E-07 mm Hg (5.07E-005 Pa) at 25 deg C
    Subcooled liquid VP: 8.79E-007 mm Hg (25 deg C, exp database VP )
                       : 0.000117 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.04073
       log Kow used: 7.17 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.04 mg/L (25 deg C)
        Exper. Ref:  ROBB,ID (1966)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.099869 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 :   2.89E-005  atm-m3/mole  (2.93E+000 Pa-m3/mole)
   Group Method:   3.70E-005  atm-m3/mole  (3.75E+000 Pa-m3/mole)
   Exper Database: 2.00E-05  atm-m3/mole  (2.03E+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:  4.573E-004 atm-m3/mole  (4.633E+001 Pa-m3/mole)
      VP:   5.52E-005 mm Hg (source: MPBPVP)
      WS:   0.0407 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.17  (exp database)
  Log Kaw used:  -3.087  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  10.257
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8066
   Biowin2 (Non-Linear Model)     :   0.8646
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2954  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1324  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8227
   Biowin6 (MITI Non-Linear Model):   0.9080
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9894
 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):  0.000117 Pa (8.79E-007 mm Hg)
  Log Koa (Koawin est  ): 10.257
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0256 
       Octanol/air (Koa) model:  0.00444 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.48 
       Mackay model           :  0.672 
       Octanol/air (Koa) model:  0.262 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.6543 E-12 cm3/molecule-sec
      Half-Life =     0.544 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.530 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.576 (Junge-Pankow, Mackay avg)
      0.262 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3522  L/kg (MCI method)
      Log Koc:  3.547       (MCI method)
      Koc    :  1.323E+004  L/kg (Kow method)
      Log Koc:  4.122       (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 = 1.750 (BCF = 56.23 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0071 days (HL = 10.17 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.974 (BCF = 941.2)
   Log BAF Arnot-Gobas method (upper trophic) = 4.610 (BAF = 4.077e+004)
       log Kow used: 7.17 (expkow database)

 Volatilization from Water:
    Henry LC:  2E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      48.51  hours   (2.021 days)
    Half-Life from Model Lake :      663.5  hours   (27.65 days)

 Removal In Wastewater Treatment:
    Total removal:              93.91  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.13  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.89            13.1         1000       
   Water     26.6            208          1000       
   Soil      70.4            416          1000       
   Sediment  1.09            1.87e+003    0          
     Persistence Time: 284 hr