CAS Num: 000111-84-2
SMILES : C(CCCCCCC)C
CHEM   : Nonane
MOL FOR: C9 H20 
MOL WT : 128.26
------------------------------ 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) =  4.76
    Log Kow (Exper. database match) =  5.65
       Exper. Ref:  DAYLIGHT (2003)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  142.69  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -56.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.96  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  661  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -53.5 deg C
    BP  (exp database):  150.8 deg C
    VP  (exp database):  4.45E+00 mm Hg (5.93E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.4058
       log Kow used: 5.65 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.22 mg/L (25 deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.28467 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.00E+000  atm-m3/mole  (4.05E+005 Pa-m3/mole)
   Group Method:   4.77E+000  atm-m3/mole  (4.83E+005 Pa-m3/mole)
   Exper Database: 3.40E+00  atm-m3/mole  (3.45E+005 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:  2.063E+000 atm-m3/mole  (2.090E+005 Pa-m3/mole)
      VP:   4.96 mm Hg (source: MPBPVP)
      WS:   0.406 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.65  (exp database)
  Log Kaw used:  2.143  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.507
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9033
   Biowin2 (Non-Linear Model)     :   0.9924
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5124  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2008  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6773
   Biowin6 (MITI Non-Linear Model):   0.8663
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2234
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8713
     BioHC Half-Life (days)     :   7.4345

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  593 Pa (4.45 mm Hg)
  Log Koa (Koawin est  ): 3.507
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.06E-009 
       Octanol/air (Koa) model:  7.89E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.83E-007 
       Mackay model           :  4.04E-007 
       Octanol/air (Koa) model:  6.31E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.6974 E-12 cm3/molecule-sec
      Half-Life =     1.103 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.236 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.94E-007 (Junge-Pankow, Mackay avg)
      6.31E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  796  L/kg (MCI method)
      Log Koc:  2.901       (MCI method)
      Koc    :  8.003E+004  L/kg (Kow method)
      Log Koc:  4.903       (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 = 2.021 (BCF = 104.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5983 days (HL = 3.965 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.481 (BCF = 3029)
   Log BAF Arnot-Gobas method (upper trophic) = 3.881 (BAF = 7601)
       log Kow used: 5.65 (expkow database)

 Volatilization from Water:
    Henry LC:  3.4 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.156  hours
    Half-Life from Model Lake :      107.6  hours   (4.482 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.92  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    56.95  percent
    Total to Air:               42.80  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       29              25.2         1000       
   Water     68.1            208          1000       
   Soil      1.57            416          1000       
   Sediment  1.37            1.87e+003    0          
     Persistence Time: 72.2 hr