CAS Num: 000112-05-0
SMILES : O=C(O)CCCCCCCC
CHEM   : Nonanoic acid
MOL FOR: C9 H18 O2 
MOL WT : 158.24
------------------------------ 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) =  3.52
    Log Kow (Exper. database match) =  3.42
       Exper. Ref:  SANGSTER (1993)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  262.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  59.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0214  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.85  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  12.3 deg C
    BP  (exp database):  254.5 deg C
    VP  (exp database):  1.65E-03 mm Hg (2.20E-001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  207.8
       log Kow used: 3.42 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  284 mg/L (20 deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  353.93 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 :   3.98E-006  atm-m3/mole  (4.03E-001 Pa-m3/mole)
   Group Method:   3.30E-006  atm-m3/mole  (3.34E-001 Pa-m3/mole)
   Exper Database: 1.62E-06  atm-m3/mole  (1.64E-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:  2.144E-005 atm-m3/mole  (2.173E+000 Pa-m3/mole)
      VP:   0.0214 mm Hg (source: MPBPVP)
      WS:   208 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.42  (exp database)
  Log Kaw used:  -4.179  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.599
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8533
   Biowin2 (Non-Linear Model)     :   0.9626
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5124  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2741  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7689
   Biowin6 (MITI Non-Linear Model):   0.8926
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8075
 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):  0.22 Pa (0.00165 mm Hg)
  Log Koa (Koawin est  ): 7.599
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.36E-005 
       Octanol/air (Koa) model:  9.75E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000492 
       Mackay model           :  0.00109 
       Octanol/air (Koa) model:  0.000779 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.7630 E-12 cm3/molecule-sec
      Half-Life =     1.096 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.147 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000791 (Junge-Pankow, Mackay avg)
      0.000779 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  52.75  L/kg (MCI method)
      Log Koc:  1.722       (MCI method)
      Koc    :  111.5  L/kg (Kow method)
      Log Koc:  2.047       (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) = -0.0629 days (HL = 0.8652 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.197 (BCF = 157.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.197 (BAF = 157.4)
       log Kow used: 3.42 (expkow database)

 Volatilization from Water:
    Henry LC:  1.62E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      455.9  hours   (19 days)
    Half-Life from Model Lake :       5079  hours   (211.6 days)

 Removal In Wastewater Treatment:
    Total removal:              11.41  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    11.16  percent
    Total to Air:                0.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.16            26.3         1000       
   Water     30.3            208          1000       
   Soil      66.5            416          1000       
   Sediment  0.108           1.87e+003    0          
     Persistence Time: 280 hr