CAS Number: 27519-02-4
SMILES : C(=CCCCCCCCC)CCCCCCCCCCCCC
CHEM   : 9-Tricosene, (Z)-
MOL FOR: C23 H46 
MOL WT : 322.62
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  11.42
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  372.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  79.05  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.34E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00845  (Modified Grain method)
    MP  (exp database):  < 0 deg C
    BP  (exp database):  378 deg C
    VP  (exp database):  3.53E-05 mm Hg (4.71E-003 Pa) at 27 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.622e-007
       log Kow used: 11.42 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.3 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1997); pH 7
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.2262e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.23E+001  atm-m3/mole  (5.30E+006 Pa-m3/mole)
   Group Method:   1.58E+002  atm-m3/mole  (1.60E+007 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:  5.823E+001 atm-m3/mole  (5.900E+006 Pa-m3/mole)
      VP:   6.34E-005 mm Hg (source: MPBPVP)
      WS:   4.62E-007 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.42  (KowWin est)
  Log Kaw used:  3.330  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.090
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8108
   Biowin2 (Non-Linear Model)     :   0.8923
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0829  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9204  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7044
   Biowin6 (MITI Non-Linear Model):   0.8128
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3882
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.5443
     BioHC Half-Life (days)     :  35.0224
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00471 Pa (3.53E-005 mm Hg)
  Log Koa (Koawin est  ): 8.090
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000637 
       Octanol/air (Koa) model:  3.02E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0225 
       Mackay model           :  0.0485 
       Octanol/air (Koa) model:  0.00241 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  82.5256 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  90.1256 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.555 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.424 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):
      0.0355 (Junge-Pankow, Mackay avg)
      0.00241 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.548E+006  L/kg (MCI method)
      Log Koc:  6.550       (MCI method)
      Koc    :  8.147E+009  L/kg (Kow method)
      Log Koc:  9.911       (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 = 1.361 (BCF = 22.95 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.3617 days (HL = 230 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.305 (BCF = 2.02)
   Log BAF Arnot-Gobas method (upper trophic) = 3.595 (BAF = 3931)
       log Kow used: 11.42 (estimated)
 
 Volatilization from Water:
    Henry LC:  52.3 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.833  hours
    Half-Life from Model Lake :      170.6  hours   (7.108 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.06  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.13  percent
    Total to Air:                0.15  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.482           1.26         1000       
   Water     53.6            360          1000       
   Soil      45.5            720          1000       
   Sediment  0.427           3.24e+003    0          
     Persistence Time: 212 hr