CAS Num: 000111-65-9
SMILES : C(CCCCCC)C
CHEM   : Octane
MOL FOR: C8 H18 
MOL WT : 114.23
------------------------------ 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) =  4.27
    Log Kow (Exper. database match) =  5.18
       Exper. Ref:  MILLER,MM ET AL. (1985)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  119.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -68.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  14.8  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.98E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -56.8 deg C
    BP  (exp database):  125.6 deg C
    VP  (exp database):  1.41E+01 mm Hg (1.88E+003 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.152
       log Kow used: 5.18 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.66 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.8731 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.01E+000  atm-m3/mole  (3.05E+005 Pa-m3/mole)
   Group Method:   3.38E+000  atm-m3/mole  (3.42E+005 Pa-m3/mole)
   Exper Database: 3.21E+00  atm-m3/mole  (3.25E+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:  1.931E+000 atm-m3/mole  (1.957E+005 Pa-m3/mole)
      VP:   14.8 mm Hg (source: MPBPVP)
      WS:   1.15 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.18  (exp database)
  Log Kaw used:  2.118  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.062
      Log Koa (experimental database):  3.350

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9100
   Biowin2 (Non-Linear Model)     :   0.9938
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5434  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2211  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6696
   Biowin6 (MITI Non-Linear Model):   0.8634
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1974
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8049
     BioHC Half-Life (days)     :   6.3805

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.88E+003 Pa (14.1 mm Hg)
  Log Koa (Exp database): 3.350
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.6E-009 
       Octanol/air (Koa) model:  5.5E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.76E-008 
       Mackay model           :  1.28E-007 
       Octanol/air (Koa) model:  4.4E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.2844 E-12 cm3/molecule-sec
      Half-Life =     1.291 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.493 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.26E-008 (Junge-Pankow, Mackay avg)
      4.4E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  436.8  L/kg (MCI method)
      Log Koc:  2.640       (MCI method)
      Koc    :  3.128E+004  L/kg (Kow method)
      Log Koc:  4.495       (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 = 3.085 (BCF = 1216 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4656 days (HL = 2.922 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.036 (BCF = 1086)
   Log BAF Arnot-Gobas method (upper trophic) = 3.063 (BAF = 1155)
       log Kow used: 5.18 (expkow database)

 Volatilization from Water:
    Henry LC:  3.21 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.091  hours
    Half-Life from Model Lake :      101.5  hours   (4.23 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.94  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:    51.46  percent
    Total to Air:               48.33  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       31.8            29.6         1000       
   Water     66.1            208          1000       
   Soil      1.27            416          1000       
   Sediment  0.867           1.87e+003    0          
     Persistence Time: 74 hr