CAS Num: 000110-54-3
SMILES : C(CCCC)C
CHEM   : Hexane
MOL FOR: C6 H14 
MOL WT : 86.18
------------------------------ 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) =  3.29
    Log Kow (Exper. database match) =  3.90
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  71.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -93.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  150  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -95.3 deg C
    BP  (exp database):  68.7 deg C
    VP  (exp database):  1.51E+02 mm Hg (2.01E+004 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  17.24
       log Kow used: 3.90 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  9.5 mg/L (25 deg C)
        Exper. Ref:  MCAULIFFE,C (1966)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.811 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.71E+000  atm-m3/mole  (1.73E+005 Pa-m3/mole)
   Group Method:   1.69E+000  atm-m3/mole  (1.71E+005 Pa-m3/mole)
   Exper Database: 1.80E+00  atm-m3/mole  (1.82E+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:  9.866E-001 atm-m3/mole  (9.997E+004 Pa-m3/mole)
      VP:   150 mm Hg (source: MPBPVP)
      WS:   17.2 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.90  (exp database)
  Log Kaw used:  1.867  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.033
      Log Koa (experimental database):  2.400

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8149
   Biowin2 (Non-Linear Model)     :   0.9741
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3071  (days-weeks  )
   Biowin4 (Primary Survey Model) :   3.9925  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6542
   Biowin6 (MITI Non-Linear Model):   0.8575
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4632
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6721
     BioHC Half-Life (days)     :   4.6995

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.01E+004 Pa (151 mm Hg)
  Log Koa (Exp database): 2.400
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.49E-010 
       Octanol/air (Koa) model:  6.17E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.38E-009 
       Mackay model           :  1.19E-008 
       Octanol/air (Koa) model:  4.93E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.4583 E-12 cm3/molecule-sec
      Half-Life =     1.960 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    23.515 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      8.65E-009 (Junge-Pankow, Mackay avg)
      4.93E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  131.5  L/kg (MCI method)
      Log Koc:  2.119       (MCI method)
      Koc    :  2423  L/kg (Kow method)
      Log Koc:  3.384       (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 = 2.240 (BCF = 173.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0617 days (HL = 1.153 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.487 (BCF = 307.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.488 (BAF = 307.3)
       log Kow used: 3.90 (expkow database)

 Volatilization from Water:
    Henry LC:  1.8 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.9476  hours   (56.86 min)
    Half-Life from Model Lake :      88.18  hours   (3.674 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.87  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:    14.52  percent
    Total to Air:               85.30  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       38.5            45.8         1000       
   Water     60.1            208          1000       
   Soil      1.01            416          1000       
   Sediment  0.357           1.87e+003    0          
     Persistence Time: 81.2 hr