CAS Num: 029926-41-8
SMILES : O=C(C1=NCCS1)C
CHEM   : Ethanone, 1-(4,5-dihydro-2-thiazolyl)-
MOL FOR: C5 H7 N1 O1 S1 
MOL WT : 129.18
------------------------------ 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) =  1.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  206.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  30.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.215  (Modified Grain method)
    VP (Pa, 25 deg C) :  28.7  (Modified Grain method)
    Subcooled liquid VP: 0.239 mm Hg (25 deg C, Mod-Grain method)
                       : 31.9 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.127e+004
       log Kow used: 1.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  25293 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.06E-007  atm-m3/mole  (3.10E-002 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:  3.243E-006 atm-m3/mole  (3.286E-001 Pa-m3/mole)
      VP:   0.215 mm Hg (source: MPBPVP)
      WS:   1.13E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.07  (KowWin est)
  Log Kaw used:  -4.903  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.973
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6929
   Biowin2 (Non-Linear Model)     :   0.6729
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8912  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6391  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4854
   Biowin6 (MITI Non-Linear Model):   0.5306
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1246
 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):  31.9 Pa (0.239 mm Hg)
  Log Koa (Koawin est  ): 5.973
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.41E-008 
       Octanol/air (Koa) model:  2.31E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.4E-006 
       Mackay model           :  7.53E-006 
       Octanol/air (Koa) model:  1.85E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.2722 E-12 cm3/molecule-sec
      Half-Life =     1.293 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.516 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.47E-006 (Junge-Pankow, Mackay avg)
      1.85E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  28.45  L/kg (MCI method)
      Log Koc:  1.454       (MCI method)
      Koc    :  51.59  L/kg (Kow method)
      Log Koc:  1.713       (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 v3.00):
   Log BCF from regression-based method = 0.374 (BCF = 2.365 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2816 days (HL = 0.05229 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.234 (BCF = 1.714)
   Log BAF Arnot-Gobas method (upper trophic) = 0.234 (BAF = 1.714)
       log Kow used: 1.07 (estimated)

 Volatilization from Water:
    Henry LC:  3.06E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       2176  hours   (90.66 days)
    Half-Life from Model Lake : 2.383E+004  hours   (993 days)

 Removal In Wastewater Treatment:
    Total removal:               1.91  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.79            31           1000       
   Water     30.8            360          1000       
   Soil      67.3            720          1000       
   Sediment  0.0931          3.24e+003    0          
     Persistence Time: 470 hr