CAS Number: 1120-25-8
SMILES : O=C(OC)CCCCCCCC=CCCCCCC
CHEM   : 9-HEXADECENOIC ACID, METHYL ESTER, (Z)-
MOL FOR: C17 H32 O2 
MOL WT : 268.44
------------------------------ 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) =  7.03
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  328.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  53.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000231  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0308  (Modified Grain method)
    Subcooled liquid VP: 0.000425 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0566 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.01836
       log Kow used: 7.03 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.027406 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.14E-003  atm-m3/mole  (8.25E+002 Pa-m3/mole)
   Group Method:   3.88E-003  atm-m3/mole  (3.93E+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:  4.444E-003 atm-m3/mole  (4.503E+002 Pa-m3/mole)
      VP:   0.000231 mm Hg (source: MPBPVP)
      WS:   0.0184 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.03  (KowWin est)
  Log Kaw used:  -0.478  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.508
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9024
   Biowin2 (Non-Linear Model)     :   0.9941
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0445  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9585  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8634
   Biowin6 (MITI Non-Linear Model):   0.9222
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6959
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0567 Pa (0.000425 mm Hg)
  Log Koa (Koawin est  ): 7.508
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.29E-005 
       Octanol/air (Koa) model:  7.91E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00191 
       Mackay model           :  0.00422 
       Octanol/air (Koa) model:  0.000632 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  71.8919 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  79.4919 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.785 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.615 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):
      0.00306 (Junge-Pankow, Mackay avg)
      0.000632 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.429E+004  L/kg (MCI method)
      Log Koc:  4.155       (MCI method)
      Koc    :  5.598E+004  L/kg (Kow method)
      Log Koc:  4.748       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.016E-002  L/mol-sec
  Kb Half-Life at pH 8:     266.000  days   
  Kb Half-Life at pH 7:       7.283  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.511 (BCF = 3244 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1880 days (HL = 1.542 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.293 (BCF = 196.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.605 (BAF = 403)
       log Kow used: 7.03 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00388 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.919  hours
    Half-Life from Model Lake :      158.3  hours   (6.597 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.90  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.85  percent
    Total to Air:                0.28  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.203           1.33         1000       
   Water     17.4            360          1000       
   Soil      77.6            720          1000       
   Sediment  4.81            3.24e+003    0          
     Persistence Time: 426 hr