CAS Number: 60609-53-2
SMILES : O=CCCCCCCC=CCCCCC(CC)C
CHEM   : 8-Hexadecenal, 14-methyl-, (Z)-
MOL FOR: C17 H32 O1 
MOL WT : 252.44
------------------------------ 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) =  6.91
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  324.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  41.51  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000377  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0503  (Modified Grain method)
    Subcooled liquid VP: 0.000532 mm Hg (25 deg C, Mod-Grain method)
                       : 0.071 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.02867
       log Kow used: 6.91 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.089164 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.18E-003  atm-m3/mole  (4.24E+002 Pa-m3/mole)
   Group Method:   3.38E-003  atm-m3/mole  (3.42E+002 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:  4.368E-003 atm-m3/mole  (4.426E+002 Pa-m3/mole)
      VP:   0.000377 mm Hg (source: MPBPVP)
      WS:   0.0287 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.91  (KowWin est)
  Log Kaw used:  -0.767  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.677
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9120
   Biowin2 (Non-Linear Model)     :   0.9986
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6636  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6802  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8786
   Biowin6 (MITI Non-Linear Model):   0.9371
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7725
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0709 Pa (0.000532 mm Hg)
  Log Koa (Koawin est  ): 7.677
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.23E-005 
       Octanol/air (Koa) model:  1.17E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00153 
       Mackay model           :  0.00337 
       Octanol/air (Koa) model:  0.000933 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  97.6963 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 105.2963 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.314 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.219 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):
      0.00245 (Junge-Pankow, Mackay avg)
      0.000933 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3862  L/kg (MCI method)
      Log Koc:  3.587       (MCI method)
      Koc    :  3.296E+004  L/kg (Kow method)
      Log Koc:  4.518       (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 = 2.853 (BCF = 713.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.9492 days (HL = 8.896 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.097 (BCF = 1251)
   Log BAF Arnot-Gobas method (upper trophic) = 4.445 (BAF = 2.787e+004)
       log Kow used: 6.91 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00338 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.897  hours
    Half-Life from Model Lake :      153.9  hours   (6.413 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.85  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.76  percent
    Total to Air:                0.32  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.133           1.17         1000       
   Water     13.3            900          1000       
   Soil      84.5            1.8e+003     1000       
   Sediment  2.1             8.1e+003     0          
     Persistence Time: 735 hr