CAS Number: 764-67-0
SMILES : OC(=O)C(O)CCCCCCCCCCCCCC
CHEM   : 2-HYDROXYHEXADECANOIC ACID
MOL FOR: C16 H32 O3 
MOL WT : 272.43
------------------------------ 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) =  5.74
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  391.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  137.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.44E-008  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.25E-006  (Modified Grain method)
    Subcooled liquid VP: 3.27E-007 mm Hg (25 deg C, Mod-Grain method)
                       : 4.37E-005 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.799
       log Kow used: 5.74 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.3197 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 :   4.51E-006  atm-m3/mole  (4.57E-001 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  4.862E-009 atm-m3/mole  (4.926E-004 Pa-m3/mole)
      VP:   2.44E-008 mm Hg (source: MPBPVP)
      WS:   1.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.74  (KowWin est)
  Log Kaw used:  -3.734  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.474
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9577
   Biowin2 (Non-Linear Model)     :   0.9396
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4200  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2388  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8361
   Biowin6 (MITI Non-Linear Model):   0.9091
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9303
 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):  4.36E-005 Pa (3.27E-007 mm Hg)
  Log Koa (Koawin est  ): 9.474
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0688 
       Octanol/air (Koa) model:  0.000731 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.713 
       Mackay model           :  0.846 
       Octanol/air (Koa) model:  0.0553 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.1965 E-12 cm3/molecule-sec
      Half-Life =     0.425 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.094 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.78 (Junge-Pankow, Mackay avg)
      0.0553 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  277.3  L/kg (MCI method)
      Log Koc:  2.443       (MCI method)
      Koc    :  830.3  L/kg (Kow method)
      Log Koc:  2.919       (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 = 1.000 (BCF = 10 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2482 days (HL = 1.771 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.817 (BCF = 655.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.853 (BAF = 713)
       log Kow used: 5.74 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.51E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:        216  hours   (8.998 days)
    Half-Life from Model Lake :       2494  hours   (103.9 days)
 
 Removal In Wastewater Treatment:
    Total removal:              90.66  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    89.89  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.06            10.2         1000       
   Water     25.1            208          1000       
   Soil      73.6            416          1000       
   Sediment  0.235           1.87e+003    0          
     Persistence Time: 319 hr