CAS Num: 010522-18-6
SMILES : COC(=O)C#CCCCCCCCC
CHEM   : 2-Undecynoic acid, methyl ester
MOL FOR: C12 H20 O2 
MOL WT : 196.29
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.08

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  260.25  (Adapted Stein & Brown method)
    Melting Pt (deg C):  58.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00759  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.01  (Modified Grain method)
    Subcooled liquid VP: 0.0157 mm Hg (25 deg C, Mod-Grain method)
                       : 2.09 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  15.05
       log Kow used: 4.08 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  14.136 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.36E-004  atm-m3/mole  (2.39E+001 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.303E-004 atm-m3/mole  (1.320E+001 Pa-m3/mole)
      VP:   0.00759 mm Hg (source: MPBPVP)
      WS:   15.1 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.08  (KowWin est)
  Log Kaw used:  -2.016  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.096
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9367
   Biowin2 (Non-Linear Model)     :   0.9979
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2039  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0626  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8186
   Biowin6 (MITI Non-Linear Model):   0.9130
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7130
 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):  2.09 Pa (0.0157 mm Hg)
  Log Koa (Koawin est  ): 6.096
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.43E-006 
       Octanol/air (Koa) model:  3.06E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.18E-005 
       Mackay model           :  0.000115 
       Octanol/air (Koa) model:  2.45E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.1978 E-12 cm3/molecule-sec
      Half-Life =     0.557 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.686 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.003000 E-17 cm3/molecule-sec
      Half-Life =   382.000 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      8.32E-005 (Junge-Pankow, Mackay avg)
      2.45E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  711  L/kg (MCI method)
      Log Koc:  2.852       (MCI method)
      Koc    :  1307  L/kg (Kow method)
      Log Koc:  3.116       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.042E-001  L/mol-sec
  Kb Half-Life at pH 8:      15.910  days   
  Kb Half-Life at pH 7:     159.104  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.983 (BCF = 9.618 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8541 days (HL = 0.1399 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.759 (BCF = 57.41)
   Log BAF Arnot-Gobas method (upper trophic) = 1.759 (BAF = 57.41)
       log Kow used: 4.08 (estimated)

 Volatilization from Water:
    Henry LC:  0.000236 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.905  hours
    Half-Life from Model Lake :        171  hours   (7.125 days)

 Removal In Wastewater Treatment:
    Total removal:              39.27  percent
    Total biodegradation:        0.33  percent
    Total sludge adsorption:    32.27  percent
    Total to Air:                6.67  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.76            13.4         1000       
   Water     19.8            360          1000       
   Soil      77.9            720          1000       
   Sediment  0.521           3.24e+003    0          
     Persistence Time: 413 hr