Methyl 3-(benzoylamino)-6-[(E)-2-(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)vinyl]-2-oxo-2H-pyran-5-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  705.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  308.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.29E-019  (Modified Grain method)
    Subcooled liquid VP: 3.46E-016 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  260.9
       log Kow used: 1.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3177.3 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Acrylates
       Phenols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.38E-029  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.913E-022 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.07  (KowWin est)
  Log Kaw used:  -26.747  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  27.817
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.5791
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6765  (weeks-months)
   Biowin4 (Primary Survey Model) :   4.0214  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5135
   Biowin6 (MITI Non-Linear Model):   0.1413
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2950
 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):  4.61E-014 Pa (3.46E-016 mm Hg)
  Log Koa (Koawin est  ): 27.817
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.5E+007 
       Octanol/air (Koa) model:  1.61E+015 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 271.8830 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 278.3430 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   28.325 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   27.668 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.860000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     2.910000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =   887.225 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =   567.092 Min (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3829
      Log Koc:  3.583 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.122 (BCF = 1.324)
       log Kow used: 1.07 (estimated)

 Volatilization from Water:
    Henry LC:  4.38E-029 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.757E+025  hours   (1.149E+024 days)
    Half-Life from Model Lake : 3.008E+026  hours   (1.253E+025 days)

 Removal In Wastewater Treatment:
    Total removal:               1.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.45e-012       0.887        1000       
   Water     39.8            900          1000       
   Soil      60.1            1.8e+003     1000       
   Sediment  0.0854          8.1e+003     0          
     Persistence Time: 1.07e+003 hr