CAS Num: 000592-99-4
SMILES : CCCC=CCCC
CHEM   : 4-Octene
MOL FOR: C8 H16 
MOL WT : 112.22
------------------------------ 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) =  4.06

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  127.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -68.91  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  17  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.27E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -93.8 deg C
    BP  (exp database):  122.3 deg C
    VP  (exp database):  1.78E+01 mm Hg (2.37E+003 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  10.69
       log Kow used: 4.06 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.4532 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.46E-001  atm-m3/mole  (7.56E+004 Pa-m3/mole)
   Group Method:   8.88E-001  atm-m3/mole  (9.00E+004 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:  2.348E-001 atm-m3/mole  (2.379E+004 Pa-m3/mole)
      VP:   17 mm Hg (source: MPBPVP)
      WS:   10.7 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.06  (KowWin est)
  Log Kaw used:  1.484  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.576
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9110
   Biowin2 (Non-Linear Model)     :   0.9940
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5479  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2240  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5892
   Biowin6 (MITI Non-Linear Model):   0.7503
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0016
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5483
     BioHC Half-Life (days)     :   3.5345

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.37E+003 Pa (17.8 mm Hg)
  Log Koa (Koawin est  ): 2.576
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.26E-009 
       Octanol/air (Koa) model:  9.25E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.57E-008 
       Mackay model           :  1.01E-007 
       Octanol/air (Koa) model:  7.4E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  61.3298 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  68.9298 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.093 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.862 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      7.34E-008 (Junge-Pankow, Mackay avg)
      7.4E-009 (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    :  3336  L/kg (Kow method)
      Log Koc:  3.523       (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 = 2.343 (BCF = 220.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2744 days (HL = 1.881 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.676 (BCF = 474.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.677 (BAF = 475.3)
       log Kow used: 4.06 (estimated)

 Volatilization from Water:
    Henry LC:  0.746 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.082  hours
    Half-Life from Model Lake :      100.6  hours   (4.193 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.70  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:    18.93  percent
    Total to Air:               80.71  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.83            1.34         1000       
   Water     92.5            208          1000       
   Soil      3.48            416          1000       
   Sediment  1.22            1.87e+003    0          
     Persistence Time: 52.8 hr