CAS Number: 6434-77-1
SMILES : CCCCCCC=CC
CHEM   : 
MOL FOR: C9 H18 
MOL WT : 126.24
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  4.55
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  149.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -56.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.24  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  699  (Mean VP of Antoine & Grain methods)
    VP  (exp database):  3.75E+00 mm Hg (5.00E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3.619
       log Kow used: 4.55 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.7615 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.90E-001  atm-m3/mole  (1.00E+005 Pa-m3/mole)
   Group Method:   1.04E+000  atm-m3/mole  (1.06E+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:  2.405E-001 atm-m3/mole  (2.437E+004 Pa-m3/mole)
      VP:   5.24 mm Hg (source: MPBPVP)
      WS:   3.62 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.55  (KowWin est)
  Log Kaw used:  1.607  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.943
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9043
   Biowin2 (Non-Linear Model)     :   0.9926
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5169  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2037  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5968
   Biowin6 (MITI Non-Linear Model):   0.7548
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0244
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6147
     BioHC Half-Life (days)     :   4.1184
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  500 Pa (3.75 mm Hg)
  Log Koa (Koawin est  ): 2.943
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6E-009 
       Octanol/air (Koa) model:  2.15E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.17E-007 
       Mackay model           :  4.8E-007 
       Octanol/air (Koa) model:  1.72E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  63.2401 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  70.8401 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.030 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.812 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):
      3.48E-007 (Junge-Pankow, Mackay avg)
      1.72E-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    :  8883  L/kg (Kow method)
      Log Koc:  3.949       (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 v3.01):
   Log BCF from regression-based method = 2.667 (BCF = 464.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4136 days (HL = 2.592 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.918 (BCF = 827.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.923 (BAF = 837.4)
       log Kow used: 4.55 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.99 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.147  hours
    Half-Life from Model Lake :      106.7  hours   (4.447 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.81  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:    35.17  percent
    Total to Air:               64.52  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.88            1.39         1000       
   Water     91.1            208          1000       
   Soil      4.19            416          1000       
   Sediment  1.87            1.87e+003    0          
     Persistence Time: 53.6 hr