CAS Num: 000057-11-4
SMILES : O=C(O)CCCCCCCCCCCCCCCCC
CHEM   : Octadecanoic acid
MOL FOR: C18 H36 O2 
MOL WT : 284.49
------------------------------ 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) =  7.94
    Log Kow (Exper. database match) =  8.23
       Exper. Ref:  SANGSTER (1993)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  382.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  132.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.31E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00111  (Modified Grain method)
    MP  (exp database):  68.8 deg C
    BP  (exp database):  383 deg C
    VP  (exp database):  7.22E-07 mm Hg (9.63E-005 Pa) at 25 deg C
    Subcooled liquid VP: 1.96E-006 mm Hg (25 deg C, exp database VP )
                       : 0.000261 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.003512
       log Kow used: 8.23 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.597 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0093429 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 :   5.10E-005  atm-m3/mole  (5.16E+000 Pa-m3/mole)
   Group Method:   7.39E-005  atm-m3/mole  (7.48E+000 Pa-m3/mole)
   Exper Database: 4.76E-07  atm-m3/mole  (4.82E-002 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:  8.857E-004 atm-m3/mole  (8.975E+001 Pa-m3/mole)
      VP:   8.31E-006 mm Hg (source: MPBPVP)
      WS:   0.00351 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.23  (exp database)
  Log Kaw used:  -4.711  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  12.941
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7932
   Biowin2 (Non-Linear Model)     :   0.8109
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2334  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0919  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8380
   Biowin6 (MITI Non-Linear Model):   0.9120
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0414
 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):  0.000261 Pa (1.96E-006 mm Hg)
  Log Koa (Koawin est  ): 12.941
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0115 
       Octanol/air (Koa) model:  2.14 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.293 
       Mackay model           :  0.479 
       Octanol/air (Koa) model:  0.994 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.4804 E-12 cm3/molecule-sec
      Half-Life =     0.476 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.710 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.386 (Junge-Pankow, Mackay avg)
      0.994 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.17E+004  L/kg (MCI method)
      Log Koc:  4.068       (MCI method)
      Koc    :  5.105E+004  L/kg (Kow method)
      Log Koc:  4.708       (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 = 1.000 (BCF = 10 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.3094 days (HL = 20.39 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.331 (BCF = 214.3)
   Log BAF Arnot-Gobas method (upper trophic) = 4.897 (BAF = 7.893e+004)
       log Kow used: 8.23 (expkow database)

 Volatilization from Water:
    Henry LC:  4.76E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       2076  hours   (86.51 days)
    Half-Life from Model Lake : 2.279E+004  hours   (949.7 days)

 Removal In Wastewater Treatment:
    Total removal:              94.02  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  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       0.878           11.4         1000       
   Water     23.4            360          1000       
   Soil      74.9            720          1000       
   Sediment  0.867           3.24e+003    0          
     Persistence Time: 493 hr