CAS Number: 94021-43-9
SMILES : n1csc(C)c1CCOC(=O)CC
CHEM   : 4-Thiazoleethanol, 5-methyl-, propanoate (ester)
MOL FOR: C9 H13 N1 O2 S1 
MOL WT : 199.27
------------------------------ 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) =  2.61
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  284.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  77.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00142  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.189  (Modified Grain method)
    Subcooled liquid VP: 0.00443 mm Hg (25 deg C, Mod-Grain method)
                       : 0.59 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  260.3
       log Kow used: 2.61 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  509.61 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.96E-008  atm-m3/mole  (1.98E-003 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:  1.430E-006 atm-m3/mole  (1.449E-001 Pa-m3/mole)
      VP:   0.00142 mm Hg (source: MPBPVP)
      WS:   260 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.61  (KowWin est)
  Log Kaw used:  -6.096  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.706
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9362
   Biowin2 (Non-Linear Model)     :   0.9956
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7493  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6521  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5563
   Biowin6 (MITI Non-Linear Model):   0.5988
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3914
 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):  0.591 Pa (0.00443 mm Hg)
  Log Koa (Koawin est  ): 8.706
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.08E-006 
       Octanol/air (Koa) model:  0.000125 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000183 
       Mackay model           :  0.000406 
       Octanol/air (Koa) model:  0.00988 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.6706 E-12 cm3/molecule-sec
      Half-Life =     1.886 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    22.635 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000295 (Junge-Pankow, Mackay avg)
      0.00988 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  358  L/kg (MCI method)
      Log Koc:  2.554       (MCI method)
      Koc    :  201  L/kg (Kow method)
      Log Koc:  2.303       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.258E-001  L/mol-sec
  Kb Half-Life at pH 8:      63.780  days   
  Kb Half-Life at pH 7:       1.746  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.389 (BCF = 24.51 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.9548 days (HL = 0.0111 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.643 (BCF = 4.4)
   Log BAF Arnot-Gobas method (upper trophic) = 0.643 (BAF = 4.4)
       log Kow used: 2.61 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.96E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.217E+004  hours   (1757 days)
    Half-Life from Model Lake : 4.601E+005  hours   (1.917E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               3.45  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.34  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       0.133           45.3         1000       
   Water     13.8            900          1000       
   Soil      85.8            1.8e+003     1000       
   Sediment  0.275           8.1e+003     0          
     Persistence Time: 1.64e+003 hr