CAS Number: 54264-04-9
SMILES : CCCCCCCCCCCCCC=CC=C
CHEM   : heptadeca-1,3-diene
MOL FOR: C17 H32 
MOL WT : 236.44
------------------------------ 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) =  8.34
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  296.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  11.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00435  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.58  (Modified Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0006168
       log Kow used: 8.34 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0019265 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.66E+000  atm-m3/mole  (3.71E+005 Pa-m3/mole)
   Group Method:   5.23E+000  atm-m3/mole  (5.30E+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:  2.194E+000 atm-m3/mole  (2.223E+005 Pa-m3/mole)
      VP:   0.00435 mm Hg (source: MPBPVP)
      WS:   0.000617 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.34  (KowWin est)
  Log Kaw used:  2.175  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.165
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7434
   Biowin2 (Non-Linear Model)     :   0.8168
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9750  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7757  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6331
   Biowin6 (MITI Non-Linear Model):   0.7341
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3830
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.1565
     BioHC Half-Life (days)     :  14.3385
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.58 Pa (0.00435 mm Hg)
  Log Koa (Koawin est  ): 6.165
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.17E-006 
       Octanol/air (Koa) model:  3.59E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000187 
       Mackay model           :  0.000414 
       Octanol/air (Koa) model:  2.87E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 121.5954 E-12 cm3/molecule-sec
      Half-Life =     0.088 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.056 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.260000 E-17 cm3/molecule-sec
      Half-Life =     0.218 Days (at 7E11 mol/cm3)
      Half-Life =      5.229 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.0003 (Junge-Pankow, Mackay avg)
      2.87E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9.686E+004  L/kg (MCI method)
      Log Koc:  4.986       (MCI method)
      Koc    :  1.729E+007  L/kg (Kow method)
      Log Koc:  7.238       (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 = 2.872 (BCF = 743.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.4832 days (HL = 30.42 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.386 (BCF = 243)
   Log BAF Arnot-Gobas method (upper trophic) = 5.199 (BAF = 1.58e+005)
       log Kow used: 8.34 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.23 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.569  hours
    Half-Life from Model Lake :      146.1  hours   (6.086 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.86  percent
    Total biodegradation:        0.59  percent
    Total sludge adsorption:    82.99  percent
    Total to Air:               12.28  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.848           1.5          1000       
   Water     63.7            360          1000       
   Soil      20.4            720          1000       
   Sediment  15.1            3.24e+003    0          
     Persistence Time: 164 hr