CAS Number: 27400-79-9
SMILES : CCCCCCCCCCCCCCCCCCCC=C
CHEM   : henicos-1-ene
MOL FOR: C21 H42 
MOL WT : 294.57
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  10.52
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  345.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  60.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000165  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.022  (Modified Grain method)
    Subcooled liquid VP: 0.000354 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0472 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.993e-006
       log Kow used: 10.52 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.0836e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.51E+001  atm-m3/mole  (2.55E+006 Pa-m3/mole)
   Group Method:   9.52E+001  atm-m3/mole  (9.64E+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:  1.602E+001 atm-m3/mole  (1.623E+006 Pa-m3/mole)
      VP:   0.000165 mm Hg (source: MPBPVP)
      WS:   3.99E-006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.52  (KowWin est)
  Log Kaw used:  3.011  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.509
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7157
   Biowin2 (Non-Linear Model)     :   0.6614
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8466  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6918  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7443
   Biowin6 (MITI Non-Linear Model):   0.8650
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6860
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.5682
     BioHC Half-Life (days)     :  36.9987
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0472 Pa (0.000354 mm Hg)
  Log Koa (Koawin est  ): 7.509
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.36E-005 
       Octanol/air (Koa) model:  7.93E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00229 
       Mackay model           :  0.00506 
       Octanol/air (Koa) model:  0.000634 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.3737 E-12 cm3/molecule-sec
      Half-Life =     0.208 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.498 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):
      0.00367 (Junge-Pankow, Mackay avg)
      0.000634 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.068E+006  L/kg (MCI method)
      Log Koc:  6.029       (MCI method)
      Koc    :  1.349E+009  L/kg (Kow method)
      Log Koc:  9.130       (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 = 1.804 (BCF = 63.63 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.9514 days (HL = 89.4 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.729 (BCF = 5.353)
   Log BAF Arnot-Gobas method (upper trophic) = 3.984 (BAF = 9633)
       log Kow used: 10.52 (estimated)
 
 Volatilization from Water:
    Henry LC:  25.1 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.751  hours
    Half-Life from Model Lake :        163  hours   (6.792 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.12  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.79  percent
    Total to Air:                0.55  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.8             4.1          1000       
   Water     60.8            360          1000       
   Soil      36.2            720          1000       
   Sediment  1.16            3.24e+003    0          
     Persistence Time: 187 hr