CAS Number: 505-01-1
SMILES : CCCC#CC#CC=CC(=O)OC
CHEM   : methyl (Z)-dec-2-en-4,6-diynoate
MOL FOR: C11 H12 O2 
MOL WT : 176.22
------------------------------ 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) =  3.19
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  260.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  76.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00495  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.66  (Modified Grain method)
    Subcooled liquid VP: 0.0152 mm Hg (25 deg C, Mod-Grain method)
                       : 2.03 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  108.5
       log Kow used: 3.19 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  224.84 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.71E-005  atm-m3/mole  (2.75E+000 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:  1.058E-005 atm-m3/mole  (1.072E+000 Pa-m3/mole)
      VP:   0.00495 mm Hg (source: MPBPVP)
      WS:   109 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.19  (KowWin est)
  Log Kaw used:  -2.955  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.145
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8378
   Biowin2 (Non-Linear Model)     :   0.9899
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9500  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8225  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6437
   Biowin6 (MITI Non-Linear Model):   0.6984
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7537
 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):  2.03 Pa (0.0152 mm Hg)
  Log Koa (Koawin est  ): 6.145
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.48E-006 
       Octanol/air (Koa) model:  3.43E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.35E-005 
       Mackay model           :  0.000118 
       Octanol/air (Koa) model:  2.74E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  93.2795 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  96.7375 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.376 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.327 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.093500 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.181000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    12.257 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     6.331 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      8.59E-005 (Junge-Pankow, Mackay avg)
      2.74E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  390.2  L/kg (MCI method)
      Log Koc:  2.591       (MCI method)
      Koc    :  420.7  L/kg (Kow method)
      Log Koc:  2.624       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.354E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.348  years  
  Kb Half-Life at pH 7:      23.480  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.771 (BCF = 59.06 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0330 days (HL = 0.09269 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.495 (BCF = 31.27)
   Log BAF Arnot-Gobas method (upper trophic) = 1.495 (BAF = 31.27)
       log Kow used: 3.19 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.71E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      30.03  hours   (1.251 days)
    Half-Life from Model Lake :        439  hours   (18.29 days)
 
 Removal In Wastewater Treatment:
    Total removal:               8.99  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.47  percent
    Total to Air:                1.38  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.312           2.73         1000       
   Water     24.3            360          1000       
   Soil      74.9            720          1000       
   Sediment  0.391           3.24e+003    0          
     Persistence Time: 443 hr