CAS Num: 000111-87-5
SMILES : OCCCCCCCC
CHEM   : 1-Octanol
MOL FOR: C8 H18 O1 
MOL WT : 130.23
------------------------------ 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) =  2.81
    Log Kow (Exper. database match) =  3.00
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  200.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -14.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.099  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  13.2  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -15.5 deg C
    BP  (exp database):  195.1 deg C
    VP  (exp database):  7.94E-02 mm Hg (1.06E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  814
       log Kow used: 3.00 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  540 mg/L (25 deg C)
        Exper. Ref:  BARTON,AFM (1984)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  766.96 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.10E-005  atm-m3/mole  (3.14E+000 Pa-m3/mole)
   Group Method:   3.88E-005  atm-m3/mole  (3.93E+000 Pa-m3/mole)
   Exper Database: 2.45E-05  atm-m3/mole  (2.48E+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:  2.084E-005 atm-m3/mole  (2.112E+000 Pa-m3/mole)
      VP:   0.099 mm Hg (source: MPBPVP)
      WS:   814 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.00  (exp database)
  Log Kaw used:  -2.999  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.999
      Log Koa (experimental database):  6.030

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9527
   Biowin2 (Non-Linear Model)     :   0.9840
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3697  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0584  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8322
   Biowin6 (MITI Non-Linear Model):   0.9425
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7535
 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):  10.6 Pa (0.0794 mm Hg)
  Log Koa (Exp database): 6.030
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.83E-007 
       Octanol/air (Koa) model:  2.63E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.02E-005 
       Mackay model           :  2.27E-005 
       Octanol/air (Koa) model:  2.1E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.5422 E-12 cm3/molecule-sec
      Half-Life =     0.853 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.234 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.65E-005 (Junge-Pankow, Mackay avg)
      2.1E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  38.28  L/kg (MCI method)
      Log Koc:  1.583       (MCI method)
      Koc    :  149  L/kg (Kow method)
      Log Koc:  2.173       (Kow method)
       Experimental Log Koc:  1.56  (database)

 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 = 1.646 (BCF = 44.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5620 days (HL = 0.2741 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.734 (BCF = 54.2)
   Log BAF Arnot-Gobas method (upper trophic) = 1.734 (BAF = 54.2)
       log Kow used: 3.00 (expkow database)

 Volatilization from Water:
    Henry LC:  2.45E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      28.44  hours   (1.185 days)
    Half-Life from Model Lake :      405.9  hours   (16.91 days)

 Removal In Wastewater Treatment:
    Total removal:               6.92  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.52  percent
    Total to Air:                1.28  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.93            17.8         1000       
   Water     31.7            208          1000       
   Soil      65.3            416          1000       
   Sediment  0.0984          1.87e+003    0          
     Persistence Time: 257 hr