CAS Number: 66-22-8
SMILES : N1C(=O)NC(=O)C=C1
CHEM   : 2,4(1H,3H)-Pyrimidinedione
MOL FOR: C4 H4 N2 O2 
MOL WT : 112.09
------------------------------ 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) =  -0.87
    Log Kow (Exper. database match) =  -1.07
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  367.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  149.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.43E-008  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.91E-006  (Modified Grain method)
    MP  (exp database):  338 deg C
    VP  (exp database):  4.67E-05 mm Hg (6.23E-003 Pa) at 25 deg C
    Subcooled liquid VP: 0.0582 mm Hg (25 deg C, exp database VP )
                       : 7.76 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.299e+004
       log Kow used: -1.07 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3600 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18546 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Imides
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.67E-011  atm-m3/mole  (8.79E-006 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.91E-09  atm-m3/mole  (1.94E-004 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:  4.906E-014 atm-m3/mole  (4.971E-009 Pa-m3/mole)
      VP:   1.43E-008 mm Hg (source: MPBPVP)
      WS:   4.3E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.07  (exp database)
  Log Kaw used:  -7.107  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.037
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6942
   Biowin2 (Non-Linear Model)     :   0.8049
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9515  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6860  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3911
   Biowin6 (MITI Non-Linear Model):   0.3423
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6890
 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):  7.76 Pa (0.0582 mm Hg)
  Log Koa (Koawin est  ): 6.037
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.87E-007 
       Octanol/air (Koa) model:  2.67E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.4E-005 
       Mackay model           :  3.09E-005 
       Octanol/air (Koa) model:  2.14E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.7680 E-12 cm3/molecule-sec
      Half-Life =     1.220 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.639 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      2.24E-005 (Junge-Pankow, Mackay avg)
      2.14E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4.267  L/kg (MCI method)
      Log Koc:  0.630       (MCI method)
      Koc    :  2.198  L/kg (Kow method)
      Log Koc:  0.342       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.2105 days (HL = 0.0006158 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8947)
   Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8947)
       log Kow used: -1.07 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.91E-009 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 3.245E+005  hours   (1.352E+004 days)
    Half-Life from Model Lake : 3.541E+006  hours   (1.475E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       0.171           24.7         1000       
   Water     35              360          1000       
   Soil      64.8            720          1000       
   Sediment  0.0704          3.24e+003    0          
     Persistence Time: 584 hr