CAS Number: 3452-07-1
SMILES : C(=C)CCCCCCCCCCCCCCCCCC
CHEM   : 1-Eicosene
MOL FOR: C20 H40 
MOL WT : 280.54
------------------------------ 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) =  10.03
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  333.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  50.38  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000409  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0545  (Modified Grain method)
    MP  (exp database):  28.5 deg C
    BP  (exp database):  341 deg C
    VP  (exp database):  1.06E-05 mm Hg (1.41E-003 Pa) at 25 deg C
    Subcooled liquid VP: 1.15E-005 mm Hg (25 deg C, exp database VP )
                       : 0.00153 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.264e-005
       log Kow used: 10.03 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.5539e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.89E+001  atm-m3/mole  (1.92E+006 Pa-m3/mole)
   Group Method:   6.74E+001  atm-m3/mole  (6.83E+006 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:  1.194E+001 atm-m3/mole  (1.210E+006 Pa-m3/mole)
      VP:   0.000409 mm Hg (source: MPBPVP)
      WS:   1.26E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.03  (KowWin est)
  Log Kaw used:  2.888  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.142
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7224
   Biowin2 (Non-Linear Model)     :   0.7045
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8775  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7121  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7366
   Biowin6 (MITI Non-Linear Model):   0.8621
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6600
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.5018
     BioHC Half-Life (days)     :  31.7530
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00153 Pa (1.15E-005 mm Hg)
  Log Koa (Koawin est  ): 7.142
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00196 
       Octanol/air (Koa) model:  3.4E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.066 
       Mackay model           :  0.135 
       Octanol/air (Koa) model:  0.000272 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  49.9606 E-12 cm3/molecule-sec
      Half-Life =     0.214 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.569 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.101 (Junge-Pankow, Mackay avg)
      0.000272 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5.862E+005  L/kg (MCI method)
      Log Koc:  5.768       (MCI method)
      Koc    :  5.066E+008  L/kg (Kow method)
      Log Koc:  8.705       (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 = 2.044 (BCF = 110.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.8122 days (HL = 64.89 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.057 (BCF = 11.4)
   Log BAF Arnot-Gobas method (upper trophic) = 4.248 (BAF = 1.769e+004)
       log Kow used: 10.03 (estimated)
 
 Volatilization from Water:
    Henry LC:  18.9 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.709  hours
    Half-Life from Model Lake :      159.1  hours   (6.629 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.22  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    92.20  percent
    Total to Air:                1.27  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.04            4.2          1000       
   Water     65.6            360          1000       
   Soil      30.2            720          1000       
   Sediment  2.11            3.24e+003    0          
     Persistence Time: 173 hr